2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone

C13H22O2 — CID 116749129

IUPAC2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)CC2CC2)CCC(C)CC1
InChIInChI=1S/C13H22O2/c1-10-5-7-13(15-2,8-6-10)12(14)9-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNQKZGRZFMHRYIT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds4

About 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone

2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone (PubChem CID 116749129) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
PubChem CID116749129
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)CC2CC2)CCC(C)CC1
InChIInChI=1S/C13H22O2/c1-10-5-7-13(15-2,8-6-10)12(14)9-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNQKZGRZFMHRYIT-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
CID 104610038
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-(1-methoxy-4-methylcyclohexyl)octan-1-one
CID 116749039
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
CID 116749443
2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450673
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
CID 116779972
bis[4-(hydroxymethyl)-1-methoxycyclohexyl]methanone
CID 174821338
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116707033
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone (CID 116749129) is 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone is COC1(C(=O)CC2CC2)CCC(C)CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The InChIKey is NQKZGRZFMHRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-5-7-13(15-2,8-6-10)12(14)9-11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone?
2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).