1-hex-1-enoxyhex-1-ene

C12H22O — CID 54009821

IUPAC1-hex-1-enoxyhex-1-ene
SMILESCCCCC=COC=CCCCC
InChIInChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyKRNGNWGELWHIOU-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.41
Rot. Bonds8

About 1-hex-1-enoxyhex-1-ene

1-hex-1-enoxyhex-1-ene (PubChem CID 54009821) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-hex-1-enoxyhex-1-ene.

Molecular Properties

Compound Name1-hex-1-enoxyhex-1-ene
PubChem CID54009821
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-hex-1-enoxyhex-1-ene
SMILESCCCCC=COC=CCCCC
InChIInChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyKRNGNWGELWHIOU-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-hex-1-enoxyhex-1-ene?
The IUPAC name of 1-hex-1-enoxyhex-1-ene (CID 54009821) is 1-hex-1-enoxyhex-1-ene.
What is the SMILES notation for 1-hex-1-enoxyhex-1-ene?
The canonical SMILES for 1-hex-1-enoxyhex-1-ene is CCCCC=COC=CCCCC.
What is the InChIKey of 1-hex-1-enoxyhex-1-ene?
The InChIKey is KRNGNWGELWHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-hex-1-enoxyhex-1-ene?
1-hex-1-enoxyhex-1-ene has a molecular weight of 182.31 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-enoxyhex-1-ene is sourced from PubChem (CID 54009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).