1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone

C10H16O2 — CID 130029378

IUPAC1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
SMILESCOC1C=CCC(C(C)=O)C1C
InChIInChI=1S/C10H16O2/c1-7-9(8(2)11)5-4-6-10(7)12-3/h4,6-7,9-10H,5H2,1-3H3
InChIKeyMTURGOBLWFZEER-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds2

About 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone

1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone (PubChem CID 130029378) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
PubChem CID130029378
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
SMILESCOC1C=CCC(C(C)=O)C1C
InChIInChI=1S/C10H16O2/c1-7-9(8(2)11)5-4-6-10(7)12-3/h4,6-7,9-10H,5H2,1-3H3
InChIKeyMTURGOBLWFZEER-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5R,6R)-5,6-diacetyloxycyclohex-3-ene-1-carboxylic acid
CID 71355610
methyl (1S,6R)-6-acetylcyclohex-3-ene-1-carboxylate
CID 57166467
(1S,2R)-2-methoxycyclohex-3-ene-1-carboxylic acid
CID 45084870
(2-acetyloxycyclopent-3-en-1-yl) acetate
CID 12696430
(1S,6R)-6-[(3-methoxycyclobutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114118848
(1S,2S,3R)-3-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 98091255
1-[(1S,2S)-2-methoxycyclopropyl]ethanone
CID 134856757
methyl (1R,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 10954443
4-acetyl-5-methoxycyclohexene-1-carboxylic acid
CID 163901559
1-[(1S,5R)-5-methylcyclohex-3-en-1-yl]ethanone
CID 11040773
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
1-[6-methyl-5-(3-methyl-4-prop-2-enylhepta-2,5-dien-2-yl)cyclohex-3-en-1-yl]ethanone
CID 123670154

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone (CID 130029378) is 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone is COC1C=CCC(C(C)=O)C1C.
What is the InChIKey of 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone?
The InChIKey is MTURGOBLWFZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-9(8(2)11)5-4-6-10(7)12-3/h4,6-7,9-10H,5H2,1-3H3.
What are the key properties of 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone?
1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 130029378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).