(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol

C9H14O — CID 135083439

IUPAC(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
SMILESOC1=CC[C@H]2CCCC[C@H]12
InChIInChI=1S/C9H14O/c10-9-6-5-7-3-1-2-4-8(7)9/h6-8,10H,1-5H2/t7-,8+/m1/s1
InChIKeyFRNGLDZPDSXLQP-SFYZADRCSA-N
MW138.21 g/mol
LogP2.64
Rot. Bonds

About (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol

(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol (PubChem CID 135083439) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol.

Molecular Properties

Compound Name(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
PubChem CID135083439
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol
SMILESOC1=CC[C@H]2CCCC[C@H]12
InChIInChI=1S/C9H14O/c10-9-6-5-7-3-1-2-4-8(7)9/h6-8,10H,1-5H2/t7-,8+/m1/s1
InChIKeyFRNGLDZPDSXLQP-SFYZADRCSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The IUPAC name of (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol (CID 135083439) is (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol.
What is the SMILES notation for (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The canonical SMILES for (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol is OC1=CC[C@H]2CCCC[C@H]12.
What is the InChIKey of (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
The InChIKey is FRNGLDZPDSXLQP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14O/c10-9-6-5-7-3-1-2-4-8(7)9/h6-8,10H,1-5H2/t7-,8+/m1/s1.
What are the key properties of (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol?
(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-ol is sourced from PubChem (CID 135083439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).