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CAS 30834-42-5 Spiro[5.5]undec-1-en-3-one molecular structure lightbox
CAS RN: 30834-42-5

Spiro[5.5]undec-1-en-3-one

  • Product code: SSC-135926
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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
  • Available purity: ≥95%
  • 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 30834-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

30834-42-5 / spiro[5.5]undec-4-en-3-one

Standard CAS: 30834-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30834-42-5
Multi CAS
No
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
InChI
InChI=1S/C11H16O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h4,8H,1-3,5-7,9H2
InChIKey
VIESIESOPRMRGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.73
H-bond acceptors
1
Molar refractivity
48.9
TPSA
17.07

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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