1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one

C18H24O2 — CID 91335423

IUPAC1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
SMILESC=C1C(=O)C(C)=C1OC.C=CC1=C(C)C(=CC)CCC1
InChIInChI=1S/C11H16.C7H8O2/c1-4-10-7-6-8-11(5-2)9(10)3;1-4-6(8)5(2)7(4)9-3/h4-5H,1,6-8H2,2-3H3;1H2,2-3H3
InChIKeyJUTFLXQIOIZFDD-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.66
Rot. Bonds2

About 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one

1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one (PubChem CID 91335423) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one.

Molecular Properties

Compound Name1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
PubChem CID91335423
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
SMILESC=C1C(=O)C(C)=C1OC.C=CC1=C(C)C(=CC)CCC1
InChIInChI=1S/C11H16.C7H8O2/c1-4-10-7-6-8-11(5-2)9(10)3;1-4-6(8)5(2)7(4)9-3/h4-5H,1,6-8H2,2-3H3;1H2,2-3H3
InChIKeyJUTFLXQIOIZFDD-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline
CID 122534853
(1E)-1-ethylidene-2-methylidenecyclopentane
CID 142947641
1-ethenyl-2-methylcyclopentene
CID 123848216
(3E)-3-(hydroxymethylidene)-2-methylcyclohexene-1-carbaldehyde
CID 58606979
2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
CID 145481857
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913
(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde
CID 58647266
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
CID 131345602
2-methoxy-3-methylcyclohex-2-ene-1,4-dione
CID 5314614
1,2-di(ethylidene)cyclooctane
CID 134898176

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The IUPAC name of 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one (CID 91335423) is 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one.
What is the SMILES notation for 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The canonical SMILES for 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one is C=C1C(=O)C(C)=C1OC.C=CC1=C(C)C(=CC)CCC1.
What is the InChIKey of 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The InChIKey is JUTFLXQIOIZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C7H8O2/c1-4-10-7-6-8-11(5-2)9(10)3;1-4-6(8)5(2)7(4)9-3/h4-5H,1,6-8H2,2-3H3;1H2,2-3H3.
What are the key properties of 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one is sourced from PubChem (CID 91335423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).