1-butoxyhex-2-ene

C10H20O — CID 545296

IUPAC1-butoxyhex-2-ene
SMILESCCCC=CCOCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLXDQSUZPIXBWIQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds7

About 1-butoxyhex-2-ene

1-butoxyhex-2-ene (PubChem CID 545296) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-butoxyhex-2-ene.

Molecular Properties

Compound Name1-butoxyhex-2-ene
PubChem CID545296
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-butoxyhex-2-ene
SMILESCCCC=CCOCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLXDQSUZPIXBWIQ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxyhex-2-ene?
The IUPAC name of 1-butoxyhex-2-ene (CID 545296) is 1-butoxyhex-2-ene.
What is the SMILES notation for 1-butoxyhex-2-ene?
The canonical SMILES for 1-butoxyhex-2-ene is CCCC=CCOCCCC.
What is the InChIKey of 1-butoxyhex-2-ene?
The InChIKey is LXDQSUZPIXBWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1-butoxyhex-2-ene?
1-butoxyhex-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyhex-2-ene is sourced from PubChem (CID 545296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).