4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one

C16H24O2 — CID 10634309

IUPAC4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
SMILESC=C(C)/C(=C\C1=C(C)C(C)(OC)C1=O)CCCC
InChIInChI=1S/C16H24O2/c1-7-8-9-13(11(2)3)10-14-12(4)16(5,18-6)15(14)17/h10H,2,7-9H2,1,3-6H3/b13-10-
InChIKeyMDGKDOWRVXKJEQ-RAXLEYEMSA-N
MW248.37 g/mol
LogP3.98
Rot. Bonds6

About 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one

4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one (PubChem CID 10634309) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
PubChem CID10634309
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
SMILESC=C(C)/C(=C\C1=C(C)C(C)(OC)C1=O)CCCC
InChIInChI=1S/C16H24O2/c1-7-8-9-13(11(2)3)10-14-12(4)16(5,18-6)15(14)17/h10H,2,7-9H2,1,3-6H3/b13-10-
InChIKeyMDGKDOWRVXKJEQ-RAXLEYEMSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-Acetyl-6-methoxy-2,3,5,6-tetramethylcyclohexa-2,4-dien-1-one
CID 155932666
4-Methoxy-2,3,4-trimethylcyclobut-2-en-1-one
CID 10419265
2,2-dimethyl-5-[(E)-6-methylnon-2-en-2-yl]furan-3-one
CID 142016297
1-(1-Methoxy-2,3,5-trimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 149727985
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 150739793
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)propan-1-one
CID 150773284
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-one
CID 150877013
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-one
CID 151953002
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbutan-1-one
CID 152586004
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 154300279

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one (CID 10634309) is 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one is C=C(C)/C(=C\C1=C(C)C(C)(OC)C1=O)CCCC.
What is the InChIKey of 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one?
The InChIKey is MDGKDOWRVXKJEQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-8-9-13(11(2)3)10-14-12(4)16(5,18-6)15(14)17/h10H,2,7-9H2,1,3-6H3/b13-10-.
What are the key properties of 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one?
4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,4-dimethyl-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one is sourced from PubChem (CID 10634309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).