[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol

C10H16O — CID 129405394

IUPAC[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
SMILESOC[C@H]1CC=C[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H16O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,8-11H,2,4-7H2/t8-,9+,10+/m0/s1
InChIKeyUOXVPOFUDUEHEY-IVZWLZJFSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol

[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol (PubChem CID 129405394) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
PubChem CID129405394
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
SMILESOC[C@H]1CC=C[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H16O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,8-11H,2,4-7H2/t8-,9+,10+/m0/s1
InChIKeyUOXVPOFUDUEHEY-IVZWLZJFSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol?
The IUPAC name of [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol (CID 129405394) is [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol.
What is the SMILES notation for [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol?
The canonical SMILES for [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol is OC[C@H]1CC=C[C@H]2CCC[C@@H]12.
What is the InChIKey of [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol?
The InChIKey is UOXVPOFUDUEHEY-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,8-11H,2,4-7H2/t8-,9+,10+/m0/s1.
What are the key properties of [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol?
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol is sourced from PubChem (CID 129405394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).