1-(1-methoxy-2-methylcyclohexyl)nonan-1-one

C17H32O2 — CID 154113917

IUPAC1-(1-methoxy-2-methylcyclohexyl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OC)CCCCC1C
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-13-16(18)17(19-3)14-11-10-12-15(17)2/h15H,4-14H2,1-3H3
InChIKeyHPJJYBXJDXEIQE-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.90
Rot. Bonds9

About 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one

1-(1-methoxy-2-methylcyclohexyl)nonan-1-one (PubChem CID 154113917) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one.

Molecular Properties

Compound Name1-(1-methoxy-2-methylcyclohexyl)nonan-1-one
PubChem CID154113917
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-(1-methoxy-2-methylcyclohexyl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OC)CCCCC1C
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-13-16(18)17(19-3)14-11-10-12-15(17)2/h15H,4-14H2,1-3H3
InChIKeyHPJJYBXJDXEIQE-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.90
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-(1-methoxy-2-methylcyclohexyl)butan-1-one
CID 83225703
1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
CID 66919900
1-(1-methoxy-4-methylcyclohexyl)octan-1-one
CID 116749039
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
1-(2-methyl-1-propoxycyclopentyl)propan-1-one
CID 83226052
1-cyclopentylundecan-2-one
CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one?
The IUPAC name of 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one (CID 154113917) is 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one.
What is the SMILES notation for 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one?
The canonical SMILES for 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one is CCCCCCCCC(=O)C1(OC)CCCCC1C.
What is the InChIKey of 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one?
The InChIKey is HPJJYBXJDXEIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-8-9-13-16(18)17(19-3)14-11-10-12-15(17)2/h15H,4-14H2,1-3H3.
What are the key properties of 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one?
1-(1-methoxy-2-methylcyclohexyl)nonan-1-one has a molecular weight of 268.44 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylcyclohexyl)nonan-1-one is sourced from PubChem (CID 154113917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).