3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one

C15H24O2 — CID 10082847

IUPAC3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C(=O)C(C(C)C)=C1CCCC
InChIInChI=1S/C15H24O2/c1-7-8-9-12-13(10(2)3)14(16)15(12,17-6)11(4)5/h10H,4,7-9H2,1-3,5-6H3
InChIKeyBGCJOBHAPZASFV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds6

About 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one

3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 10082847) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID10082847
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C(=O)C(C(C)C)=C1CCCC
InChIInChI=1S/C15H24O2/c1-7-8-9-12-13(10(2)3)14(16)15(12,17-6)11(4)5/h10H,4,7-9H2,1-3,5-6H3
InChIKeyBGCJOBHAPZASFV-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2,6,6-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]pyran-3-one
CID 21778693
(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
CID 91464345
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11819638
4,4-Dimethoxy-2-methyl-3-(3-methylbut-3-enyl)cyclobut-2-en-1-one
CID 10242225
1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one
CID 101320307
2-Methoxy-5-methyl-2-(6-methylhept-2-en-2-yl)cyclohexan-1-one
CID 91044217
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149660976
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 149855314
1-(1-Methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)nonan-1-one
CID 151459197
1-(1-Methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)-8-methylnonan-1-one
CID 152024726
3-Ethyl-1-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)heptan-1-one
CID 152265305

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 10082847) is 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1(OC)C(=O)C(C(C)C)=C1CCCC.
What is the InChIKey of 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is BGCJOBHAPZASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-7-8-9-12-13(10(2)3)14(16)15(12,17-6)11(4)5/h10H,4,7-9H2,1-3,5-6H3.
What are the key properties of 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 10082847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).