3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one

C14H22O2 — CID 170699649

IUPAC3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one
SMILESCOC1=C(C(C)CCC=C(C)C)C(=O)CC1
InChIInChI=1S/C14H22O2/c1-10(2)6-5-7-11(3)14-12(15)8-9-13(14)16-4/h6,11H,5,7-9H2,1-4H3
InChIKeyUIISROOXZRWFDA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds5

About 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one

3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one (PubChem CID 170699649) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one
PubChem CID170699649
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one
SMILESCOC1=C(C(C)CCC=C(C)C)C(=O)CC1
InChIInChI=1S/C14H22O2/c1-10(2)6-5-7-11(3)14-12(15)8-9-13(14)16-4/h6,11H,5,7-9H2,1-4H3
InChIKeyUIISROOXZRWFDA-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one
CID 166880478
2-Cyclohexen-1-one, 4-butyl-3-methoxy-
CID 574101
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
3-Methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139746560
2-Cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
CID 12044632
(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
CID 14068210

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one (CID 170699649) is 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one is COC1=C(C(C)CCC=C(C)C)C(=O)CC1.
What is the InChIKey of 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one?
The InChIKey is UIISROOXZRWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)6-5-7-11(3)14-12(15)8-9-13(14)16-4/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one?
3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 170699649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).