1-but-3-enyl-4-pent-1-enylcyclohexane

C15H26 — CID 123985466

IUPAC1-but-3-enyl-4-pent-1-enylcyclohexane
SMILESC=CCCC1CCC(C=CCCC)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
InChIKeyNXIBFCYMCWTNLZ-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.12
Rot. Bonds6

About 1-but-3-enyl-4-pent-1-enylcyclohexane

1-but-3-enyl-4-pent-1-enylcyclohexane (PubChem CID 123985466) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-but-3-enyl-4-pent-1-enylcyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-pent-1-enylcyclohexane
PubChem CID123985466
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-but-3-enyl-4-pent-1-enylcyclohexane
SMILESC=CCCC1CCC(C=CCCC)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
InChIKeyNXIBFCYMCWTNLZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-pent-1-enylcyclohexane?
The IUPAC name of 1-but-3-enyl-4-pent-1-enylcyclohexane (CID 123985466) is 1-but-3-enyl-4-pent-1-enylcyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-pent-1-enylcyclohexane?
The canonical SMILES for 1-but-3-enyl-4-pent-1-enylcyclohexane is C=CCCC1CCC(C=CCCC)CC1.
What is the InChIKey of 1-but-3-enyl-4-pent-1-enylcyclohexane?
The InChIKey is NXIBFCYMCWTNLZ-UHFFFAOYSA-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.
What are the key properties of 1-but-3-enyl-4-pent-1-enylcyclohexane?
1-but-3-enyl-4-pent-1-enylcyclohexane 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-pent-1-enylcyclohexane is sourced from PubChem (CID 123985466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).