1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one

C20H38O2 — CID 66919886

IUPAC1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one
SMILESCOCCC1CCCC(C)C1C(=O)CCCCCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)10-7-5-6-8-13-19(21)20-17(3)11-9-12-18(20)14-15-22-4/h16-18,20H,5-15H2,1-4H3
InChIKeySPARCEIKRIXGRI-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.64
Rot. Bonds11

About 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one

1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one (PubChem CID 66919886) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one
PubChem CID66919886
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one
SMILESCOCCC1CCCC(C)C1C(=O)CCCCCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)10-7-5-6-8-13-19(21)20-17(3)11-9-12-18(20)14-15-22-4/h16-18,20H,5-15H2,1-4H3
InChIKeySPARCEIKRIXGRI-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-7-methyloctan-1-one
CID 155793674
2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818276
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
CID 67498292
methoxymethane;16-methylheptadecanoic acid
CID 175921970
methyl 21-methyldocosanoate
CID 14178788
1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-9-methyldecan-1-one
CID 143250461
2-[2-(4-methylpentoxy)ethyl]cyclopentan-1-amine
CID 79572582
8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470117
1-[2-(2-methoxyethyl)cyclohexyl]-3,3-dimethylbutan-1-one
CID 66919821
3-O-methyl 1-O-(7-methyloctyl) cyclohexane-1,3-dicarboxylate
CID 90773254
3-(9-methyldecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262692
3-(13-methyltetradecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262558

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one (CID 66919886) is 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one is COCCC1CCCC(C)C1C(=O)CCCCCCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one?
The InChIKey is SPARCEIKRIXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-16(2)10-7-5-6-8-13-19(21)20-17(3)11-9-12-18(20)14-15-22-4/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one?
1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one has a molecular weight of 310.52 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one is sourced from PubChem (CID 66919886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).