3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one

C13H18O2 — CID 25228224

IUPAC3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one
SMILESC=CCC1(CC=C)CC(OC)=C(C)C1=O
InChIInChI=1S/C13H18O2/c1-5-7-13(8-6-2)9-11(15-4)10(3)12(13)14/h5-6H,1-2,7-9H2,3-4H3
InChIKeyHWJINYUXRFZDPI-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.02
Rot. Bonds5

About 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one

3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one (PubChem CID 25228224) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one
PubChem CID25228224
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one
SMILESC=CCC1(CC=C)CC(OC)=C(C)C1=O
InChIInChI=1S/C13H18O2/c1-5-7-13(8-6-2)9-11(15-4)10(3)12(13)14/h5-6H,1-2,7-9H2,3-4H3
InChIKeyHWJINYUXRFZDPI-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.02
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

2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
(6S)-3-methoxy-2,6-dimethyl-6-prop-2-enylcyclohex-2-en-1-one
CID 162416913
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
CID 166446963
10-Methoxy-4-methylidenespiro[4.5]deca-6,9-dien-8-one
CID 166446964
3-Methoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 11263600
2-But-3-en-2-yl-3-methoxycyclopent-2-en-1-one
CID 14427967
3-Methoxy-6,6-dimethylcyclohex-2-en-1-one
CID 15738550
2,5,5-Trimethyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
CID 18370007
5-But-3-enyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
CID 20263827
3-(2-Methylpropoxy)-5-propylcyclopent-2-en-1-one
CID 20263856
3-Isobutoxy-5,5-dimethylcyclopent-2-enone
CID 20263861

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one (CID 25228224) is 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one is C=CCC1(CC=C)CC(OC)=C(C)C1=O.
What is the InChIKey of 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one?
The InChIKey is HWJINYUXRFZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-7-13(8-6-2)9-11(15-4)10(3)12(13)14/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one?
3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 25228224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).