2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone

C10H16O2 — CID 103450967

IUPAC2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCOCC(=O)C1=CCC(C)CC1
InChIInChI=1S/C10H16O2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyJOJZEHYSIJQODK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone

2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone (PubChem CID 103450967) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone
PubChem CID103450967
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCOCC(=O)C1=CCC(C)CC1
InChIInChI=1S/C10H16O2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyJOJZEHYSIJQODK-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84800
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2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
2-Methoxy-6-nonyl-1,4-benzoquinone
CID 131309
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
(3R,4R,4aR)-3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 10060589
Hydroxydietrichequinone
CID 6442640
5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one
CID 14191344

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone (CID 103450967) is 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone is COCC(=O)C1=CCC(C)CC1.
What is the InChIKey of 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone?
The InChIKey is JOJZEHYSIJQODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-5-9(6-4-8)10(11)7-12-2/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone?
2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 103450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).