7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane

C15H30 — CID 171514163

IUPAC7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
SMILESCC.CC(C)C1CCC2CCCCC21C
InChIInChI=1S/C13H24.C2H6/c1-10(2)12-8-7-11-6-4-5-9-13(11,12)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeySVKIIRNDRSTGPM-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds1

About 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane

7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane (PubChem CID 171514163) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane.

Molecular Properties

Compound Name7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
PubChem CID171514163
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
SMILESCC.CC(C)C1CCC2CCCCC21C
InChIInChI=1S/C13H24.C2H6/c1-10(2)12-8-7-11-6-4-5-9-13(11,12)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeySVKIIRNDRSTGPM-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
(6R)-6-[(1R,3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
CID 175696060
1-cyclopropyl-1-methyl-2-propan-2-ylcyclopropane
CID 123698843
1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanamine
CID 68522867
17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145358699
(3R)-3-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-ol;ethane
CID 145429423
2-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-amine
CID 163460070
2-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propan-1-ol
CID 21263896
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 6857464
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
(5S,10S,13R,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 59914835
(3R)-3-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid;ethane
CID 144617035

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane?
The IUPAC name of 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane (CID 171514163) is 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane.
What is the SMILES notation for 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane?
The canonical SMILES for 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane is CC.CC(C)C1CCC2CCCCC21C.
What is the InChIKey of 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane?
The InChIKey is SVKIIRNDRSTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C2H6/c1-10(2)12-8-7-11-6-4-5-9-13(11,12)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3.
What are the key properties of 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane?
7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane is sourced from PubChem (CID 171514163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).