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CAS 3074-78-0 2,6-Dimethyl-1-heptene molecular structure lightbox
CAS RN: 3074-78-0

2,6-Dimethyl-1-heptene

  • Product code: SSC-135677
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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: 1ml
  • 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 3074-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1ml ≥97% 0 Out of Stock Beijing Inquiry

3074-78-0 / 2,6-dimethylhept-1-ene

Standard CAS: 3074-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3074-78-0
Multi CAS
Yes
Molecular Formula
C9H18
Molecular Weight
126.240000
Exact Mass
126.140851
InChI
InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey
JUUMAEXLYIMEOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.78
Rotatable bonds
4
Molar refractivity
43.5
TPSA
0.0000

LogP / Solubility

WLOGP
3.39
MLOGP
2.97
XLogP3
4.4
Consensus LogP
3.59
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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