8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one

C10H14O2 — CID 163772475

IUPAC8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
SMILESO=C1CC=CC2CCCC(O)C12
InChIInChI=1S/C10H14O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,7,9-10,12H,2,4-6H2
InChIKeyMHPVGJRIOLWNFI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds

About 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one

8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one (PubChem CID 163772475) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
PubChem CID163772475
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
SMILESO=C1CC=CC2CCCC(O)C12
InChIInChI=1S/C10H14O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,7,9-10,12H,2,4-6H2
InChIKeyMHPVGJRIOLWNFI-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(4aR,7S,8S,8aS)-8-[(3R)-3,5-dihydroxypentyl]-7-methyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-one
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(4aS,7R,8R,8aR)-8-[(3S)-3,5-dihydroxypentyl]-7-methyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-one
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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one (CID 163772475) is 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one is O=C1CC=CC2CCCC(O)C12.
What is the InChIKey of 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one?
The InChIKey is MHPVGJRIOLWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,7,9-10,12H,2,4-6H2.
What are the key properties of 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one?
8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 163772475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).