6-butoxyhex-1-ene

C10H20O — CID 21186914

IUPAC6-butoxyhex-1-ene
SMILESC=CCCCCOCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h3H,1,4-10H2,2H3
InChIKeyWWXHIUWKCRCPAP-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds8

About 6-butoxyhex-1-ene

6-butoxyhex-1-ene (PubChem CID 21186914) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 6-butoxyhex-1-ene.

Molecular Properties

Compound Name6-butoxyhex-1-ene
PubChem CID21186914
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name6-butoxyhex-1-ene
SMILESC=CCCCCOCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h3H,1,4-10H2,2H3
InChIKeyWWXHIUWKCRCPAP-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 6-butoxyhex-1-ene?
The IUPAC name of 6-butoxyhex-1-ene (CID 21186914) is 6-butoxyhex-1-ene.
What is the SMILES notation for 6-butoxyhex-1-ene?
The canonical SMILES for 6-butoxyhex-1-ene is C=CCCCCOCCCC.
What is the InChIKey of 6-butoxyhex-1-ene?
The InChIKey is WWXHIUWKCRCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-8-10-11-9-6-4-2/h3H,1,4-10H2,2H3.
What are the key properties of 6-butoxyhex-1-ene?
6-butoxyhex-1-ene 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 6-butoxyhex-1-ene is sourced from PubChem (CID 21186914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).