1,1-dimethoxy-8-methylnon-7-en-4-one

C12H22O3 — CID 13308241

IUPAC1,1-dimethoxy-8-methylnon-7-en-4-one
SMILESCOC(CCC(=O)CCC=C(C)C)OC
InChIInChI=1S/C12H22O3/c1-10(2)6-5-7-11(13)8-9-12(14-3)15-4/h6,12H,5,7-9H2,1-4H3
InChIKeyFGLBDZCUYQLZMB-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.70
Rot. Bonds8

About 1,1-dimethoxy-8-methylnon-7-en-4-one

1,1-dimethoxy-8-methylnon-7-en-4-one (PubChem CID 13308241) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1,1-dimethoxy-8-methylnon-7-en-4-one.

Molecular Properties

Compound Name1,1-dimethoxy-8-methylnon-7-en-4-one
PubChem CID13308241
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1,1-dimethoxy-8-methylnon-7-en-4-one
SMILESCOC(CCC(=O)CCC=C(C)C)OC
InChIInChI=1S/C12H22O3/c1-10(2)6-5-7-11(13)8-9-12(14-3)15-4/h6,12H,5,7-9H2,1-4H3
InChIKeyFGLBDZCUYQLZMB-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethoxy-2-methylhex-2-enamide
CID 91543963
methyl 5-methylhex-4-enoate
CID 10909672
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
CID 13267135
(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
ethyl (2Z,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dienoate
CID 14103326
ethyl 11-methyl-7-oxododec-10-enoate
CID 71388435
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
CID 91303762
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(5Z,9E)-6-(dimethoxymethyl)-1,1-dimethoxy-10,14-dimethylpentadeca-5,9,13-trien-2-one
CID 19844979
(Z)-2-(4,4-dimethoxybutyl)-8,8-dimethoxyoct-2-enal
CID 11822796

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-8-methylnon-7-en-4-one?
The IUPAC name of 1,1-dimethoxy-8-methylnon-7-en-4-one (CID 13308241) is 1,1-dimethoxy-8-methylnon-7-en-4-one.
What is the SMILES notation for 1,1-dimethoxy-8-methylnon-7-en-4-one?
The canonical SMILES for 1,1-dimethoxy-8-methylnon-7-en-4-one is COC(CCC(=O)CCC=C(C)C)OC.
What is the InChIKey of 1,1-dimethoxy-8-methylnon-7-en-4-one?
The InChIKey is FGLBDZCUYQLZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(2)6-5-7-11(13)8-9-12(14-3)15-4/h6,12H,5,7-9H2,1-4H3.
What are the key properties of 1,1-dimethoxy-8-methylnon-7-en-4-one?
1,1-dimethoxy-8-methylnon-7-en-4-one has a molecular weight of 214.30 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-8-methylnon-7-en-4-one is sourced from PubChem (CID 13308241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).