1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane

C29H50 — CID 54480516

IUPAC1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
SMILESCC=CCCC1CCC(CCC=CC2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C29H50/c1-3-5-6-9-25-12-14-26(15-13-25)10-7-8-11-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h3,5,8,11,24-29H,4,6-7,9-10,12-23H2,1-2H3
InChIKeyXORDIXHPZRAANZ-UHFFFAOYSA-N
MW398.72 g/mol
LogP9.51
Rot. Bonds9

About 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane

1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane (PubChem CID 54480516) has the molecular formula C29H50 and a molecular weight of 398.72 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
PubChem CID54480516
Molecular FormulaC29H50
Molecular Weight398.72 g/mol
Exact Mass398.39
IUPAC Name1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
SMILESCC=CCCC1CCC(CCC=CC2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C29H50/c1-3-5-6-9-25-12-14-26(15-13-25)10-7-8-11-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h3,5,8,11,24-29H,4,6-7,9-10,12-23H2,1-2H3
InChIKeyXORDIXHPZRAANZ-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 140599571
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane (CID 54480516) is 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane is CC=CCCC1CCC(CCC=CC2CCC(C3CCC(CC)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is XORDIXHPZRAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50/c1-3-5-6-9-25-12-14-26(15-13-25)10-7-8-11-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h3,5,8,11,24-29H,4,6-7,9-10,12-23H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane?
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 398.72 g/mol, XLogP of 9.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 54480516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).