1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one

C18H34O2 — CID 116749779

IUPAC1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-10-13-17(19)18(20-5-2)14-11-12-16(3)15-18/h16H,4-15H2,1-3H3
InChIKeyRPMNTIJTWBMVAN-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.29
Rot. Bonds10

About 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one

1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one (PubChem CID 116749779) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
PubChem CID116749779
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-10-13-17(19)18(20-5-2)14-11-12-16(3)15-18/h16H,4-15H2,1-3H3
InChIKeyRPMNTIJTWBMVAN-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.29
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

2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(1-methoxy-4-methylcyclohexyl)octan-1-one
CID 116749039
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
1-(1-ethoxy-4-methylcyclohexyl)-4-methoxybutan-1-one
CID 114854425
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749839
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one (CID 116749779) is 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one is CCCCCCCCC(=O)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one?
The InChIKey is RPMNTIJTWBMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-6-7-8-9-10-13-17(19)18(20-5-2)14-11-12-16(3)15-18/h16H,4-15H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one?
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one has a molecular weight of 282.47 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one is sourced from PubChem (CID 116749779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).