1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene

C27H46 — CID 21464605

IUPAC1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
SMILESC=CCCC1=CCC(C2CCC(CCC3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H46/c1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h3,14,22,24-27H,1,4-13,15-21H2,2H3
InChIKeyLDGSZQPPXWKDPG-UHFFFAOYSA-N
MW370.67 g/mol
LogP8.87
Rot. Bonds9

About 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene

1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene (PubChem CID 21464605) has the molecular formula C27H46 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene.

Molecular Properties

Compound Name1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
PubChem CID21464605
Molecular FormulaC27H46
Molecular Weight370.67 g/mol
Exact Mass370.36
IUPAC Name1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
SMILESC=CCCC1=CCC(C2CCC(CCC3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H46/c1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h3,14,22,24-27H,1,4-13,15-21H2,2H3
InChIKeyLDGSZQPPXWKDPG-UHFFFAOYSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 58.87
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-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 22876109
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
4-but-3-enyl-2,3-difluoro-1-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173390288

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene?
The IUPAC name of 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene (CID 21464605) is 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene.
What is the SMILES notation for 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene?
The canonical SMILES for 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene is C=CCCC1=CCC(C2CCC(CCC3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene?
The InChIKey is LDGSZQPPXWKDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46/c1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h3,14,22,24-27H,1,4-13,15-21H2,2H3.
What are the key properties of 1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene?
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene has a molecular weight of 370.67 g/mol, XLogP of 8.87, 9 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-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene is sourced from PubChem (CID 21464605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).