1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane

C28H48 — CID 54574523

IUPAC1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
SMILESCC=CC1CCC(C=CCCC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-3-7-23-11-13-25(14-12-23)9-5-6-10-26-17-21-28(22-18-26)27-19-15-24(8-4-2)16-20-27/h3,5,7,9,23-28H,4,6,8,10-22H2,1-2H3
InChIKeyZZPWPFFBADRSIH-UHFFFAOYSA-N
MW384.69 g/mol
LogP9.12
Rot. Bonds8

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

1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane (PubChem CID 54574523) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
PubChem CID54574523
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
SMILESCC=CC1CCC(C=CCCC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-3-7-23-11-13-25(14-12-23)9-5-6-10-26-17-21-28(22-18-26)27-19-15-24(8-4-2)16-20-27/h3,5,7,9,23-28H,4,6,8,10-22H2,1-2H3
InChIKeyZZPWPFFBADRSIH-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-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 159199082

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The IUPAC name of 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane (CID 54574523) is 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane.
What is the SMILES notation for 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The canonical SMILES for 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane is CC=CC1CCC(C=CCCC2CCC(C3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
The InChIKey is ZZPWPFFBADRSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-3-7-23-11-13-25(14-12-23)9-5-6-10-26-17-21-28(22-18-26)27-19-15-24(8-4-2)16-20-27/h3,5,7,9,23-28H,4,6,8,10-22H2,1-2H3.
What are the key properties of 1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane?
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)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-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane is sourced from PubChem (CID 54574523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).