4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one

C15H28O3 — CID 103035447

IUPAC4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H28O3/c1-12-7-6-9-15(11-12,18-5)13(16)8-10-14(2,3)17-4/h12H,6-11H2,1-5H3
InChIKeyMXTMRKFPGYOZTI-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.36
Rot. Bonds6

About 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one

4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one (PubChem CID 103035447) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one
PubChem CID103035447
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H28O3/c1-12-7-6-9-15(11-12,18-5)13(16)8-10-14(2,3)17-4/h12H,6-11H2,1-5H3
InChIKeyMXTMRKFPGYOZTI-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
cis-(1S,3S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707659
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707641
3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 82236601
4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
CID 103035308
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
CID 116749704
1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
CID 114989128
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one?
The IUPAC name of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one (CID 103035447) is 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one.
What is the SMILES notation for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one?
The canonical SMILES for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one is COC(C)(C)CCC(=O)C1(OC)CCCC(C)C1.
What is the InChIKey of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one?
The InChIKey is MXTMRKFPGYOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-12-7-6-9-15(11-12,18-5)13(16)8-10-14(2,3)17-4/h12H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one?
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one is sourced from PubChem (CID 103035447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).