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CAS 2175-91-9 6,6-Dimethylfulvene molecular structure lightbox
CAS RN: 2175-91-9

6,6-Dimethylfulvene

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260513 1ml In stock Inquiry
Batchno.20250814 25ml Out of stock Inquiry
Batchno.20260129 5ml In stock Inquiry
  • Product code: SSC-105040
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2175-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

2175-91-9 / 5-propan-2-ylidenecyclopenta-1,3-diene

Standard CAS: 2175-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2175-91-9
Multi CAS
No
Molecular Formula
C8H10
Molecular Weight
106.160000
Exact Mass
106.078250
SMILES
CC(=C1C=CC=C1)C
InChI
InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
InChIKey
WXACXMWYHXOSIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.25
Molar refractivity
36.65
TPSA
0.0000

LogP / Solubility

WLOGP
2.45
MLOGP
2.14
XLogP3
2.8
Consensus LogP
2.46
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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