4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one

C10H14O2 — CID 22950908

IUPAC4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=C2CCCCC2(O)CC1
InChIInChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2
InChIKeySZAMFUFDRIYOMV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.58
Rot. Bonds

About 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one

4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one (PubChem CID 22950908) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one.

Molecular Properties

Compound Name4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
PubChem CID22950908
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=C2CCCCC2(O)CC1
InChIInChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2
InChIKeySZAMFUFDRIYOMV-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11401118
(4aR)-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylic acid
CID 13094704
3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one
CID 139254963
2-oxo-4,5,6,7,8,9-hexahydro-3H-benzo[7]annulene-4a-carbonitrile
CID 101229953
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
4a-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 24975861
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
(8aS)-8a-hydroxy-5,6,7,8-tetrahydroisoquinoline-1,3-dione
CID 102342995
(4aR,5R)-5-ethynyl-5-hydroxy-4a-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 15819402
(1R)-7a-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 15126341

Frequently Asked Questions

What is the IUPAC name of 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The IUPAC name of 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one (CID 22950908) is 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one.
What is the SMILES notation for 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The canonical SMILES for 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one is O=C1C=C2CCCCC2(O)CC1.
What is the InChIKey of 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The InChIKey is SZAMFUFDRIYOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2.
What are the key properties of 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one is sourced from PubChem (CID 22950908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).