2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one

C14H20O2 — CID 141221881

IUPAC2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one
SMILESCCC(O)C(=O)C1=CCCCC12CC=CC2
InChIInChI=1S/C14H20O2/c1-2-12(15)13(16)11-7-3-4-8-14(11)9-5-6-10-14/h5-7,12,15H,2-4,8-10H2,1H3
InChIKeyHCPPHMXBZVIQBP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.77
Rot. Bonds3

About 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one

2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one (PubChem CID 141221881) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one
PubChem CID141221881
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one
SMILESCCC(O)C(=O)C1=CCCCC12CC=CC2
InChIInChI=1S/C14H20O2/c1-2-12(15)13(16)11-7-3-4-8-14(11)9-5-6-10-14/h5-7,12,15H,2-4,8-10H2,1H3
InChIKeyHCPPHMXBZVIQBP-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.77
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

(1R,8S)-7,7,8-trimethyltricyclo[6.3.1.01,6]dodec-5-en-9-one
CID 10798879
4-[3-[(1S,2S)-2-(2-hydroxybutanoyl)-1,3,3-trimethylcyclohexyl]-3-oxopropyl]-2H-furan-5-one
CID 162661682
2-(cyclohexen-1-yl)pent-1-en-3-ol
CID 101439929
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414
2-hydroxy-1-pyrimidin-5-ylbutan-1-one
CID 103452977
ethyl 9-isocyano-9-methyl-3,4,5,8-tetrahydro-2H-benzo[7]annulene-4a-carboxylate
CID 153427784
3-hydroxyspiro[4.5]deca-2,8-dien-4-one
CID 71381445
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid
CID 118173852
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
N-[(2R)-1-hydroxybutan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 103920108

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one?
The IUPAC name of 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one (CID 141221881) is 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one is CCC(O)C(=O)C1=CCCCC12CC=CC2.
What is the InChIKey of 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one?
The InChIKey is HCPPHMXBZVIQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-12(15)13(16)11-7-3-4-8-14(11)9-5-6-10-14/h5-7,12,15H,2-4,8-10H2,1H3.
What are the key properties of 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one?
2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-spiro[4.5]deca-2,9-dien-10-ylbutan-1-one is sourced from PubChem (CID 141221881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).