(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol

C9H16O — CID 13056507

IUPAC(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
SMILESO[C@H]1CC[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C9H16O/c10-9-5-4-7-2-1-3-8(7)6-9/h7-10H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyIGRYUSXMPCQPHK-CIUDSAMLSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds

About (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol

(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol (PubChem CID 13056507) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
PubChem CID13056507
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
SMILESO[C@H]1CC[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C9H16O/c10-9-5-4-7-2-1-3-8(7)6-9/h7-10H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyIGRYUSXMPCQPHK-CIUDSAMLSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol with MolForge

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Related Compounds

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CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
3-cyclohexylcyclopentan-1-ol
CID 64515309
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
4-cyclobutylcyclohexan-1-ol
CID 116963310
(8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57368410
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
tricyclo[4.3.1.12,5]undecane
CID 13070377
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The IUPAC name of (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol (CID 13056507) is (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol.
What is the SMILES notation for (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The canonical SMILES for (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol is O[C@H]1CC[C@@H]2CCC[C@H]2C1.
What is the InChIKey of (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The InChIKey is IGRYUSXMPCQPHK-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H16O/c10-9-5-4-7-2-1-3-8(7)6-9/h7-10H,1-6H2/t7-,8-,9-/m0/s1.
What are the key properties of (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol is sourced from PubChem (CID 13056507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).