1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane

C30H50 — CID 173281887

IUPAC1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
SMILESC=CCCC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CC)CCCCC2)CC1
InChIInChI=1S/C30H50/c1-4-6-14-26-19-21-27(22-20-26)15-8-9-16-28-17-10-11-18-29(28)25(3)30(5-2)23-12-7-13-24-30/h4,9,16,26-29H,1,3,5-8,10-15,17-24H2,2H3/b16-9+
InChIKeyDOTAYRSIYLVAFR-CXUHLZMHSA-N
MW410.73 g/mol
LogP9.82
Rot. Bonds10

About 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane

1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane (PubChem CID 173281887) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
PubChem CID173281887
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
SMILESC=CCCC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CC)CCCCC2)CC1
InChIInChI=1S/C30H50/c1-4-6-14-26-19-21-27(22-20-26)15-8-9-16-28-17-10-11-18-29(28)25(3)30(5-2)23-12-7-13-24-30/h4,9,16,26-29H,1,3,5-8,10-15,17-24H2,2H3/b16-9+
InChIKeyDOTAYRSIYLVAFR-CXUHLZMHSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane with MolForge

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Related Compounds

1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
CID 173281898
1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
CID 139753585
but-3-enylcyclododecane
CID 54074675
1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
CID 139753577
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
CID 140650697
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
but-3-enylcyclohexane;carbonic acid
CID 70349609
but-3-enylcyclopentane;propane-2,2-diol;trifluoromethanesulfonic acid
CID 142318314
1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 57039741
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane (CID 173281887) is 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane is C=CCCC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CC)CCCCC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The InChIKey is DOTAYRSIYLVAFR-CXUHLZMHSA-N. The full InChI is InChI=1S/C30H50/c1-4-6-14-26-19-21-27(22-20-26)15-8-9-16-28-17-10-11-18-29(28)25(3)30(5-2)23-12-7-13-24-30/h4,9,16,26-29H,1,3,5-8,10-15,17-24H2,2H3/b16-9+.
What are the key properties of 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane has a molecular weight of 410.73 g/mol, XLogP of 9.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane is sourced from PubChem (CID 173281887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).