4-[(E)-but-1-enyl]cyclohexene

C10H16 — CID 21245549

IUPAC4-[(E)-but-1-enyl]cyclohexene
SMILESCC/C=C/C1CC=CCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h3-5,7,10H,2,6,8-9H2,1H3/b7-3+
InChIKeyOITROVRHTBYJTR-XVNBXDOJSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds2

About 4-[(E)-but-1-enyl]cyclohexene

4-[(E)-but-1-enyl]cyclohexene (PubChem CID 21245549) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]cyclohexene.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]cyclohexene
PubChem CID21245549
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-[(E)-but-1-enyl]cyclohexene
SMILESCC/C=C/C1CC=CCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h3-5,7,10H,2,6,8-9H2,1H3/b7-3+
InChIKeyOITROVRHTBYJTR-XVNBXDOJSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]cyclohexene?
The IUPAC name of 4-[(E)-but-1-enyl]cyclohexene (CID 21245549) is 4-[(E)-but-1-enyl]cyclohexene.
What is the SMILES notation for 4-[(E)-but-1-enyl]cyclohexene?
The canonical SMILES for 4-[(E)-but-1-enyl]cyclohexene is CC/C=C/C1CC=CCC1.
What is the InChIKey of 4-[(E)-but-1-enyl]cyclohexene?
The InChIKey is OITROVRHTBYJTR-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h3-5,7,10H,2,6,8-9H2,1H3/b7-3+.
What are the key properties of 4-[(E)-but-1-enyl]cyclohexene?
4-[(E)-but-1-enyl]cyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]cyclohexene is sourced from PubChem (CID 21245549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).