1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane

C28H48 — CID 54321216

IUPAC1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
SMILESCCC=CC1CCC(C=CCCC2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-3-5-8-24-11-13-25(14-12-24)9-6-7-10-26-17-21-28(22-18-26)27-19-15-23(4-2)16-20-27/h5-6,8-9,23-28H,3-4,7,10-22H2,1-2H3
InChIKeySRUNSXCNUKCIJO-UHFFFAOYSA-N
MW384.69 g/mol
LogP9.12
Rot. Bonds8

About 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane

1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane (PubChem CID 54321216) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
PubChem CID54321216
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
SMILESCCC=CC1CCC(C=CCCC2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-3-5-8-24-11-13-25(14-12-24)9-6-7-10-26-17-21-28(22-18-26)27-19-15-23(4-2)16-20-27/h5-6,8-9,23-28H,3-4,7,10-22H2,1-2H3
InChIKeySRUNSXCNUKCIJO-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.12
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-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
(E)-5-[4-(4-ethylcyclohexyl)cyclohexyl]pent-2-enenitrile
CID 19612791
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
CID 140739356

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The IUPAC name of 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane (CID 54321216) is 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane.
What is the SMILES notation for 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The canonical SMILES for 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane is CCC=CC1CCC(C=CCCC2CCC(C3CCC(CC)CC3)CC2)CC1.
What is the InChIKey of 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The InChIKey is SRUNSXCNUKCIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-3-5-8-24-11-13-25(14-12-24)9-6-7-10-26-17-21-28(22-18-26)27-19-15-23(4-2)16-20-27/h5-6,8-9,23-28H,3-4,7,10-22H2,1-2H3.
What are the key properties of 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane has a molecular weight of 384.69 g/mol, XLogP of 9.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane is sourced from PubChem (CID 54321216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).