[(E)-hex-1-enyl]cyclopropane

C9H16 — CID 5352188

IUPAC[(E)-hex-1-enyl]cyclopropane
SMILESCCCC/C=C/C1CC1
InChIInChI=1S/C9H16/c1-2-3-4-5-6-9-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyQAMUELDWLSZYFW-AATRIKPKSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds4

About [(E)-hex-1-enyl]cyclopropane

[(E)-hex-1-enyl]cyclopropane (PubChem CID 5352188) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is [(E)-hex-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-hex-1-enyl]cyclopropane
PubChem CID5352188
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name[(E)-hex-1-enyl]cyclopropane
SMILESCCCC/C=C/C1CC1
InChIInChI=1S/C9H16/c1-2-3-4-5-6-9-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyQAMUELDWLSZYFW-AATRIKPKSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-hex-1-enyl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689
1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
CID 138567412
non-1-enylcyclopentane
CID 86065492
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
CID 57154676
4-[(E)-hex-1-enyl]cyclohexene
CID 12808064
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
4-pent-1-enylcyclohexan-1-ol
CID 54384714
4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 19380427
3-hept-1-enyl-7-oxabicyclo[4.1.0]heptane
CID 141299695
1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
CID 67570226

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enyl]cyclopropane?
The IUPAC name of [(E)-hex-1-enyl]cyclopropane (CID 5352188) is [(E)-hex-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-hex-1-enyl]cyclopropane?
The canonical SMILES for [(E)-hex-1-enyl]cyclopropane is CCCC/C=C/C1CC1.
What is the InChIKey of [(E)-hex-1-enyl]cyclopropane?
The InChIKey is QAMUELDWLSZYFW-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16/c1-2-3-4-5-6-9-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of [(E)-hex-1-enyl]cyclopropane?
[(E)-hex-1-enyl]cyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl]cyclopropane is sourced from PubChem (CID 5352188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).