1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one

C20H30O — CID 74076151

IUPAC1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one
SMILESC=C1CCC=C(C)CCC2C1CC2(C)C(=O)CC=C(C)C
InChIInChI=1S/C20H30O/c1-14(2)9-12-19(21)20(5)13-17-16(4)8-6-7-15(3)10-11-18(17)20/h7,9,17-18H,4,6,8,10-13H2,1-3,5H3
InChIKeyYRSZRXAWRABNPZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.63
Rot. Bonds3

About 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one

1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one (PubChem CID 74076151) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one.

Molecular Properties

Compound Name1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one
PubChem CID74076151
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one
SMILESC=C1CCC=C(C)CCC2C1CC2(C)C(=O)CC=C(C)C
InChIInChI=1S/C20H30O/c1-14(2)9-12-19(21)20(5)13-17-16(4)8-6-7-15(3)10-11-18(17)20/h7,9,17-18H,4,6,8,10-13H2,1-3,5H3
InChIKeyYRSZRXAWRABNPZ-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one with MolForge

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Related Compounds

1-[(1R,4R,6R,10S,12R)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-4-methylpent-3-en-1-one
CID 162931128
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
[(1R,5Z,9R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol
CID 91747230
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
4-chloro-1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpentan-3-ol
CID 74051500
(1R,2R,6E,10R)-7,11,11-trimethyl-3-methylidenebicyclo[8.1.0]undec-6-en-2-ol
CID 14607006
1-[(1R,4E,9R)-4,11,11-trimethyl-8-methylidene-1-bicyclo[7.2.0]undec-4-enyl]ethanone
CID 20841383
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
[3-methoxy-7-methyl-11-methylidene-4-(4-methylpent-3-enylidene)-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate
CID 74052489

Frequently Asked Questions

What is the IUPAC name of 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one?
The IUPAC name of 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one (CID 74076151) is 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one.
What is the SMILES notation for 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one?
The canonical SMILES for 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one is C=C1CCC=C(C)CCC2C1CC2(C)C(=O)CC=C(C)C.
What is the InChIKey of 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one?
The InChIKey is YRSZRXAWRABNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)9-12-19(21)20(5)13-17-16(4)8-6-7-15(3)10-11-18(17)20/h7,9,17-18H,4,6,8,10-13H2,1-3,5H3.
What are the key properties of 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one?
1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one has a molecular weight of 286.46 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one is sourced from PubChem (CID 74076151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).