[(E)-but-1-enyl]cyclohexane

C10H18 — CID 11389423

IUPAC[(E)-but-1-enyl]cyclohexane
SMILESCC/C=C/C1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h3,7,10H,2,4-6,8-9H2,1H3/b7-3+
InChIKeyQLCXXXXMRVOLRN-XVNBXDOJSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds2

About [(E)-but-1-enyl]cyclohexane

[(E)-but-1-enyl]cyclohexane (PubChem CID 11389423) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is [(E)-but-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-but-1-enyl]cyclohexane
PubChem CID11389423
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name[(E)-but-1-enyl]cyclohexane
SMILESCC/C=C/C1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h3,7,10H,2,4-6,8-9H2,1H3/b7-3+
InChIKeyQLCXXXXMRVOLRN-XVNBXDOJSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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 [(E)-but-1-enyl]cyclohexane?
The IUPAC name of [(E)-but-1-enyl]cyclohexane (CID 11389423) is [(E)-but-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-but-1-enyl]cyclohexane?
The canonical SMILES for [(E)-but-1-enyl]cyclohexane is CC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-but-1-enyl]cyclohexane?
The InChIKey is QLCXXXXMRVOLRN-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h3,7,10H,2,4-6,8-9H2,1H3/b7-3+.
What are the key properties of [(E)-but-1-enyl]cyclohexane?
[(E)-but-1-enyl]cyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]cyclohexane is sourced from PubChem (CID 11389423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).