trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane

C14H24 — CID 10375333

IUPACtrans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane
SMILESC=CCC[C@]1(CC=C)C[C@@H]1CCCC
InChIInChI=1S/C14H24/c1-4-7-9-13-12-14(13,10-6-3)11-8-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-,14+/m0/s1
InChIKeyQFBQATPPVWZDPA-UONOGXRCSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds8

About trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane

trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane (PubChem CID 10375333) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane
PubChem CID10375333
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nametrans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane
SMILESC=CCC[C@]1(CC=C)C[C@@H]1CCCC
InChIInChI=1S/C14H24/c1-4-7-9-13-12-14(13,10-6-3)11-8-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-,14+/m0/s1
InChIKeyQFBQATPPVWZDPA-UONOGXRCSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane (CID 10375333) is trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane is C=CCC[C@]1(CC=C)C[C@@H]1CCCC.
What is the InChIKey of trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane?
The InChIKey is QFBQATPPVWZDPA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H24/c1-4-7-9-13-12-14(13,10-6-3)11-8-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane?
trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane has a molecular weight of 192.35 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-but-3-enyl-2-butyl-1-prop-2-enylcyclopropane is sourced from PubChem (CID 10375333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).