cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone

C14H24O2 — CID 174733634

IUPACcyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone
SMILESCOCC1(C(=O)C2CC2)C(C)CCCC1C
InChIInChI=1S/C14H24O2/c1-10-5-4-6-11(2)14(10,9-16-3)13(15)12-7-8-12/h10-12H,4-9H2,1-3H3
InChIKeyYEPBKRXPVFZVLB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds4

About cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone

cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone (PubChem CID 174733634) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone
PubChem CID174733634
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone
SMILESCOCC1(C(=O)C2CC2)C(C)CCCC1C
InChIInChI=1S/C14H24O2/c1-10-5-4-6-11(2)14(10,9-16-3)13(15)12-7-8-12/h10-12H,4-9H2,1-3H3
InChIKeyYEPBKRXPVFZVLB-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one
CID 67427290
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
CID 66919644
1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one
CID 118577431
3-ethyl-1-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]heptan-1-one
CID 66919797
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
CID 67498292
1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
CID 67427162
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
CID 66919900
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone?
The IUPAC name of cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone (CID 174733634) is cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone.
What is the SMILES notation for cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone?
The canonical SMILES for cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone is COCC1(C(=O)C2CC2)C(C)CCCC1C.
What is the InChIKey of cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone?
The InChIKey is YEPBKRXPVFZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-5-4-6-11(2)14(10,9-16-3)13(15)12-7-8-12/h10-12H,4-9H2,1-3H3.
What are the key properties of cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone?
cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone has a molecular weight of 224.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone is sourced from PubChem (CID 174733634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).