1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane

C24H36 — CID 145066008

IUPAC1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane
SMILESC=CC1CCC(/C=C/C2CCC(C(/C=C\C(=C)C)=C/C)CC2)CC1
InChIInChI=1S/C24H36/c1-5-20-8-10-21(11-9-20)12-13-22-14-17-24(18-15-22)23(6-2)16-7-19(3)4/h5-7,12-13,16,20-22,24H,1,3,8-11,14-15,17-18H2,2,4H3/b13-12+,16-7-,23-6+
InChIKeyHMUFORWRAFGXAV-UFNYEQGSSA-N
MW324.55 g/mol
LogP7.42
Rot. Bonds6

About 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane

1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane (PubChem CID 145066008) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane
PubChem CID145066008
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane
SMILESC=CC1CCC(/C=C/C2CCC(C(/C=C\C(=C)C)=C/C)CC2)CC1
InChIInChI=1S/C24H36/c1-5-20-8-10-21(11-9-20)12-13-22-14-17-24(18-15-22)23(6-2)16-7-19(3)4/h5-7,12-13,16,20-22,24H,1,3,8-11,14-15,17-18H2,2,4H3/b13-12+,16-7-,23-6+
InChIKeyHMUFORWRAFGXAV-UFNYEQGSSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(3E)-4-methyl-5-methylidenehepta-1,3,6-trien-2-yl]cyclohexane
CID 163691247
1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 176683518
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
1-ethenyl-4-[4-(1,2,2-trifluoroethenyl)cyclohexyl]cyclohexane
CID 139825193
[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane
CID 155030355
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
4-[(3Z,5Z)-5-(4-ethenylcyclohexyl)-3,4-difluorohepta-1,3,5-trien-2-yl]cyclohexane-1-carbaldehyde
CID 88953250
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
CID 144579674
ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
CID 142942953

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane (CID 145066008) is 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane is C=CC1CCC(/C=C/C2CCC(C(/C=C\C(=C)C)=C/C)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane?
The InChIKey is HMUFORWRAFGXAV-UFNYEQGSSA-N. The full InChI is InChI=1S/C24H36/c1-5-20-8-10-21(11-9-20)12-13-22-14-17-24(18-15-22)23(6-2)16-7-19(3)4/h5-7,12-13,16,20-22,24H,1,3,8-11,14-15,17-18H2,2,4H3/b13-12+,16-7-,23-6+.
What are the key properties of 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane?
1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane has a molecular weight of 324.55 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(E)-2-[4-[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 145066008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).