3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one

C15H22O2 — CID 162872484

IUPAC3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESC=C(CO)C1CCC2(C1)C(C)=CC(=O)CC2C
InChIInChI=1S/C15H22O2/c1-10(9-16)13-4-5-15(8-13)11(2)6-14(17)7-12(15)3/h6,12-13,16H,1,4-5,7-9H2,2-3H3
InChIKeyNGHJSKWBHDRUJT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds2

About 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one

3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one (PubChem CID 162872484) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
PubChem CID162872484
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESC=C(CO)C1CCC2(C1)C(C)=CC(=O)CC2C
InChIInChI=1S/C15H22O2/c1-10(9-16)13-4-5-15(8-13)11(2)6-14(17)7-12(15)3/h6,12-13,16H,1,4-5,7-9H2,2-3H3
InChIKeyNGHJSKWBHDRUJT-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
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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CID 14135401
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CID 539964
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
CID 73810597
(4S)-4-((1R,2S)-2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one
CID 21634730
(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
CID 13970045
6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one
CID 45359408
12-Hydroxy-chiloscyphone
CID 10243131
Argutosine B
CID 46930873
Npc111520
CID 14135402
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
Oxysolavetivone
CID 74427721

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The IUPAC name of 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one (CID 162872484) is 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one is C=C(CO)C1CCC2(C1)C(C)=CC(=O)CC2C.
What is the InChIKey of 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The InChIKey is NGHJSKWBHDRUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(9-16)13-4-5-15(8-13)11(2)6-14(17)7-12(15)3/h6,12-13,16H,1,4-5,7-9H2,2-3H3.
What are the key properties of 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one has a molecular weight of 234.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 162872484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).