1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane

C15H26 — CID 140650697

IUPAC1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
SMILESC=CCCC1CCC(/C=C/CCC)CC1
InChIInChI=1S/C15H26/c1-3-5-7-9-15-12-10-14(11-13-15)8-6-4-2/h4,7,9,14-15H,2-3,5-6,8,10-13H2,1H3/b9-7+
InChIKeyNXIBFCYMCWTNLZ-VQHVLOKHSA-N
MW206.37 g/mol
LogP5.12
Rot. Bonds6

About 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane

1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane (PubChem CID 140650697) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
PubChem CID140650697
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
SMILESC=CCCC1CCC(/C=C/CCC)CC1
InChIInChI=1S/C15H26/c1-3-5-7-9-15-12-10-14(11-13-15)8-6-4-2/h4,7,9,14-15H,2-3,5-6,8,10-13H2,1H3/b9-7+
InChIKeyNXIBFCYMCWTNLZ-VQHVLOKHSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.12
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-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 158217537
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane
CID 159275982
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane
CID 67864133
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
CID 19380399
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane (CID 140650697) is 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane is C=CCCC1CCC(/C=C/CCC)CC1.
What is the InChIKey of 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane?
The InChIKey is NXIBFCYMCWTNLZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-15-12-10-14(11-13-15)8-6-4-2/h4,7,9,14-15H,2-3,5-6,8,10-13H2,1H3/b9-7+.
What are the key properties of 1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane?
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 5.12, 6 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-[(E)-pent-1-enyl]cyclohexane is sourced from PubChem (CID 140650697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).