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

C11H16O2 — CID 11819638

IUPAC4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C=C(C(C)C)C1=O
InChIInChI=1S/C11H16O2/c1-7(2)9-6-11(13-5,8(3)4)10(9)12/h6-7H,3H2,1-2,4-5H3
InChIKeyQZLYVQJIYZHZLC-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds3

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

4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 11819638) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID11819638
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(OC)C=C(C(C)C)C1=O
InChIInChI=1S/C11H16O2/c1-7(2)9-6-11(13-5,8(3)4)10(9)12/h6-7H,3H2,1-2,4-5H3
InChIKeyQZLYVQJIYZHZLC-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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

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CID 10082847
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
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CID 130906183
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
CID 152544859
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
CID 152586004
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)-3,3-dimethylbutan-1-one
CID 153929733
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)-2-methylpropan-1-one
CID 174719238
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CID 174733499
3,4-Dimethoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10560390
4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10634309
4-methoxy-3,4-dimethyl-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10776968

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 11819638) is 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1(OC)C=C(C(C)C)C1=O.
What is the InChIKey of 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is QZLYVQJIYZHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)9-6-11(13-5,8(3)4)10(9)12/h6-7H,3H2,1-2,4-5H3.
What are the key properties of 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one?
4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 11819638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).