2-butoxyhex-1-ene

C10H20O — CID 15578219

IUPAC2-butoxyhex-1-ene
SMILESC=C(CCCC)OCCCC
InChIInChI=1S/C10H20O/c1-4-6-8-10(3)11-9-7-5-2/h3-9H2,1-2H3
InChIKeyLJHMKPNRUJMACP-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds7

About 2-butoxyhex-1-ene

2-butoxyhex-1-ene (PubChem CID 15578219) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-butoxyhex-1-ene.

Molecular Properties

Compound Name2-butoxyhex-1-ene
PubChem CID15578219
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-butoxyhex-1-ene
SMILESC=C(CCCC)OCCCC
InChIInChI=1S/C10H20O/c1-4-6-8-10(3)11-9-7-5-2/h3-9H2,1-2H3
InChIKeyLJHMKPNRUJMACP-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxyhex-1-ene 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 2-butoxyhex-1-ene?
The IUPAC name of 2-butoxyhex-1-ene (CID 15578219) is 2-butoxyhex-1-ene.
What is the SMILES notation for 2-butoxyhex-1-ene?
The canonical SMILES for 2-butoxyhex-1-ene is C=C(CCCC)OCCCC.
What is the InChIKey of 2-butoxyhex-1-ene?
The InChIKey is LJHMKPNRUJMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-8-10(3)11-9-7-5-2/h3-9H2,1-2H3.
What are the key properties of 2-butoxyhex-1-ene?
2-butoxyhex-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyhex-1-ene is sourced from PubChem (CID 15578219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).