1-(cyclohexylmethoxy)-8-methylnonan-2-one

C17H32O2 — CID 66919833

IUPAC1-(cyclohexylmethoxy)-8-methylnonan-2-one
SMILESCC(C)CCCCCC(=O)COCC1CCCCC1
InChIInChI=1S/C17H32O2/c1-15(2)9-5-3-8-12-17(18)14-19-13-16-10-6-4-7-11-16/h15-16H,3-14H2,1-2H3
InChIKeyXYCQSJYSRRBQSZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.76
Rot. Bonds10

About 1-(cyclohexylmethoxy)-8-methylnonan-2-one

1-(cyclohexylmethoxy)-8-methylnonan-2-one (PubChem CID 66919833) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-8-methylnonan-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-8-methylnonan-2-one
PubChem CID66919833
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-(cyclohexylmethoxy)-8-methylnonan-2-one
SMILESCC(C)CCCCCC(=O)COCC1CCCCC1
InChIInChI=1S/C17H32O2/c1-15(2)9-5-3-8-12-17(18)14-19-13-16-10-6-4-7-11-16/h15-16H,3-14H2,1-2H3
InChIKeyXYCQSJYSRRBQSZ-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.76
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-cyclohexyl-9-methyldecan-2-one
CID 57253495
1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one
CID 67370172
6-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) hexanedioate
CID 91713284
1-cyclohexyloxy-5-methylhexan-2-one
CID 174714498
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
4-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) butanedioate
CID 91701965
methane;5-methyl-1-(5-methylhexoxy)hexan-2-one
CID 158481214
2,16-dimethylheptadecan-6-one
CID 158111781
3-methylbutoxymethylcyclobutane
CID 66602657
2-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) cyclohexane-1,2-dicarboxylate
CID 91721825
1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
CID 62383747

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-8-methylnonan-2-one?
The IUPAC name of 1-(cyclohexylmethoxy)-8-methylnonan-2-one (CID 66919833) is 1-(cyclohexylmethoxy)-8-methylnonan-2-one.
What is the SMILES notation for 1-(cyclohexylmethoxy)-8-methylnonan-2-one?
The canonical SMILES for 1-(cyclohexylmethoxy)-8-methylnonan-2-one is CC(C)CCCCCC(=O)COCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxy)-8-methylnonan-2-one?
The InChIKey is XYCQSJYSRRBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-15(2)9-5-3-8-12-17(18)14-19-13-16-10-6-4-7-11-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(cyclohexylmethoxy)-8-methylnonan-2-one?
1-(cyclohexylmethoxy)-8-methylnonan-2-one has a molecular weight of 268.44 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-8-methylnonan-2-one is sourced from PubChem (CID 66919833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).