2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane

C14H28O — CID 142091721

IUPAC2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
SMILESCC.CC12CCCCC1CCC2CCO
InChIInChI=1S/C12H22O.C2H6/c1-12-8-3-2-4-10(12)5-6-11(12)7-9-13;1-2/h10-11,13H,2-9H2,1H3;1-2H3
InChIKeyMJPSNXKKDSBVIL-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds2

About 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane

2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane (PubChem CID 142091721) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
PubChem CID142091721
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
SMILESCC.CC12CCCCC1CCC2CCO
InChIInChI=1S/C12H22O.C2H6/c1-12-8-3-2-4-10(12)5-6-11(12)7-9-13;1-2/h10-11,13H,2-9H2,1H3;1-2H3
InChIKeyMJPSNXKKDSBVIL-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,8S,9S,10S,11S,13R,14S,17R)-17-(2-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol
CID 66995398
ethane;(17R)-17-(2-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
CID 145403388
(8S,9S,10S,13R,14S,17R)-17-(2-iodoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 54200589
(5S,8S,9S,10S,13R,14S,17S)-17-(2-bromoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 140981764
3-aminopropan-1-ol;(10S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane;propane
CID 145022139
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
4-[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butylamino]butan-1-ol
CID 143658974
(5R,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154119295
(10S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145022140
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
2-[(8S,9S,10S,13R,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]ethyl acetate
CID 57260783
bis(4-(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 143727484

Frequently Asked Questions

What is the IUPAC name of 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane?
The IUPAC name of 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane (CID 142091721) is 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane?
The canonical SMILES for 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane is CC.CC12CCCCC1CCC2CCO.
What is the InChIKey of 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane?
The InChIKey is MJPSNXKKDSBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C2H6/c1-12-8-3-2-4-10(12)5-6-11(12)7-9-13;1-2/h10-11,13H,2-9H2,1H3;1-2H3.
What are the key properties of 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane?
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane has a molecular weight of 212.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane is sourced from PubChem (CID 142091721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).