1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane

C22H38 — CID 173281372

IUPAC1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
SMILESCC=CC1CCC(C/C=C\CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38/c1-3-7-19-11-15-21(16-12-19)9-5-6-10-22-17-13-20(8-4-2)14-18-22/h3,5-7,19-22H,4,8-18H2,1-2H3/b6-5-,7-3?
InChIKeyZTQFDWIDLCKHOY-CURWRNPISA-N
MW302.55 g/mol
LogP7.31
Rot. Bonds7

About 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane

1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane (PubChem CID 173281372) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane.

Molecular Properties

Compound Name1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
PubChem CID173281372
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
SMILESCC=CC1CCC(C/C=C\CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38/c1-3-7-19-11-15-21(16-12-19)9-5-6-10-22-17-13-20(8-4-2)14-18-22/h3,5-7,19-22H,4,8-18H2,1-2H3/b6-5-,7-3?
InChIKeyZTQFDWIDLCKHOY-CURWRNPISA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.31
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-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173282062
1-but-1-enyl-4-[4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54563730
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
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
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 159707196
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane
CID 71163863

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane?
The IUPAC name of 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane (CID 173281372) is 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane.
What is the SMILES notation for 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane?
The canonical SMILES for 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane is CC=CC1CCC(C/C=C\CC2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane?
The InChIKey is ZTQFDWIDLCKHOY-CURWRNPISA-N. The full InChI is InChI=1S/C22H38/c1-3-7-19-11-15-21(16-12-19)9-5-6-10-22-17-13-20(8-4-2)14-18-22/h3,5-7,19-22H,4,8-18H2,1-2H3/b6-5-,7-3?.
What are the key properties of 1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane?
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane has a molecular weight of 302.55 g/mol, XLogP of 7.31, 7 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-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane is sourced from PubChem (CID 173281372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).