![CAS 19912-84-6 (-)-7,7-Dimethyl-11-methylenespiro[5.5]undec-2-ene-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19912-84-6.gif)
CAS RN: 19912-84-6
(-)-7,7-Dimethyl-11-methylenespiro[5.5]undec-2-ene-3-carbaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS19912-84-6
- Purity/Analytical Methods: >99.0%
19912-84-6 / 5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
Basic Information
CAS
19912-84-6
Multi CAS
No
Molecular Formula
C15H22O
Molecular Weight
218.330000
Exact Mass
218.167065
SMILES
CC1(CCCC(=C)C12CCC(=CC2)C=O)C
InChI
InChI=1S/C15H22O/c1-12-5-4-8-14(2,3)15(12)9-6-13(11-16)7-10-15/h6,11H,1,4-5,7-10H2,2-3H3
InChIKey
MJSPQLDLFYGVAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
67.2
TPSA
17.07
LogP / Solubility
WLOGP
4.05
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.84
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
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
3
Customers Also Viewed
-
-
-
(R)-Methyl 2-(methylamino)propanoate hydrochloride
- CAS RN: 19914-41-1
- Product Code: SSC-093777
-
-
N2-METHYL-2′-DEOXYGUANOSINE
- CAS RN: 19916-77-9
- Product Code: starshine_CAS19916-77-9
- Purity/Analytical method: >99.0%
-
α-2′-Deoxyguanosine
- CAS RN: 19916-78-0
- Product Code: starshine_CAS19916-78-0
- Purity/Analytical method: >99.0%
.gif)
