1-but-3-enoxyhexane

C10H20O — CID 538268

IUPAC1-but-3-enoxyhexane
SMILESC=CCCOCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h4H,2-3,5-10H2,1H3
InChIKeyWUUORBLHOUQATR-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds8

About 1-but-3-enoxyhexane

1-but-3-enoxyhexane (PubChem CID 538268) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-but-3-enoxyhexane.

Molecular Properties

Compound Name1-but-3-enoxyhexane
PubChem CID538268
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-but-3-enoxyhexane
SMILESC=CCCOCCCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h4H,2-3,5-10H2,1H3
InChIKeyWUUORBLHOUQATR-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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-but-3-enoxyhexane?
The IUPAC name of 1-but-3-enoxyhexane (CID 538268) is 1-but-3-enoxyhexane.
What is the SMILES notation for 1-but-3-enoxyhexane?
The canonical SMILES for 1-but-3-enoxyhexane is C=CCCOCCCCCC.
What is the InChIKey of 1-but-3-enoxyhexane?
The InChIKey is WUUORBLHOUQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 1-but-3-enoxyhexane?
1-but-3-enoxyhexane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxyhexane is sourced from PubChem (CID 538268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).