(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

C10H18O — CID 143298757

IUPAC(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESC[C@@]12CCCC1[C@@H](O)CCC2
InChIInChI=1S/C10H18O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h8-9,11H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyVKUBMMFAMLTDRF-AGROOBSYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds

About (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (PubChem CID 143298757) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.

Molecular Properties

Compound Name(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
PubChem CID143298757
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESC[C@@]12CCCC1[C@@H](O)CCC2
InChIInChI=1S/C10H18O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h8-9,11H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyVKUBMMFAMLTDRF-AGROOBSYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol with MolForge

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Related Compounds

(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(1R,4aR)-4a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-1-ol
CID 102119554
7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
CID 72993379
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 143095782
5-methyl-2-(1-methylcyclopropyl)cyclohexan-1-ol
CID 130125033
(5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 45043725
(1S,4aS,5S,8aR)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 21309361
(2R,3R,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
CID 52947587
(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
CID 13486535
1-(2-hydroxycycloheptyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428358
(1S,8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol
CID 154189774

Frequently Asked Questions

What is the IUPAC name of (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The IUPAC name of (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (CID 143298757) is (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.
What is the SMILES notation for (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The canonical SMILES for (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is C[C@@]12CCCC1[C@@H](O)CCC2.
What is the InChIKey of (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The InChIKey is VKUBMMFAMLTDRF-AGROOBSYSA-N. The full InChI is InChI=1S/C10H18O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h8-9,11H,2-7H2,1H3/t8?,9-,10-/m0/s1.
What are the key properties of (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is sourced from PubChem (CID 143298757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).