10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one

C12H14O2 — CID 166446963

IUPAC10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
SMILESCOC1=CC(=O)C=CC12CCC=C2C
InChIInChI=1S/C12H14O2/c1-9-4-3-6-12(9)7-5-10(13)8-11(12)14-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJZGIIDXGVBBOOC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.38
Rot. Bonds1

About 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one

10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one (PubChem CID 166446963) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one.

Molecular Properties

Compound Name10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
PubChem CID166446963
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
SMILESCOC1=CC(=O)C=CC12CCC=C2C
InChIInChI=1S/C12H14O2/c1-9-4-3-6-12(9)7-5-10(13)8-11(12)14-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJZGIIDXGVBBOOC-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-1-methoxyspiro[5.5]undeca-1,4,8-trien-3-one
CID 24974422
7-Methoxy-spiro[4.5]deca-6,9-dien-8-on
CID 129648485
(E)-5-[(2S)-2,5,6-trimethyl-3,4-dihydropyran-2-yl]pent-3-en-2-one
CID 134853306
10-Methoxy-4-methylidenespiro[4.5]deca-6,9-dien-8-one
CID 166446964
2-(2-Methylhexan-2-yl)pyran-4-one
CID 91364714
6,10-Dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 10955483
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 14942146
3-Methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one
CID 25228224
10-Methoxyspiro[4.5]deca-6,9-dien-8-one
CID 45116909
4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one
CID 121217606

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one?
The IUPAC name of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one (CID 166446963) is 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one.
What is the SMILES notation for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one?
The canonical SMILES for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one is COC1=CC(=O)C=CC12CCC=C2C.
What is the InChIKey of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one?
The InChIKey is JZGIIDXGVBBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-4-3-6-12(9)7-5-10(13)8-11(12)14-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one?
10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one has a molecular weight of 190.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one is sourced from PubChem (CID 166446963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).