1-hex-1-enoxyhexane

C12H24O — CID 54552326

IUPAC1-hex-1-enoxyhexane
SMILESCCCCC=COCCCCCC
InChIInChI=1S/C12H24O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3
InChIKeyUPESNKRHGHVIHR-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.29
Rot. Bonds9

About 1-hex-1-enoxyhexane

1-hex-1-enoxyhexane (PubChem CID 54552326) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-hex-1-enoxyhexane.

Molecular Properties

Compound Name1-hex-1-enoxyhexane
PubChem CID54552326
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-hex-1-enoxyhexane
SMILESCCCCC=COCCCCCC
InChIInChI=1S/C12H24O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3
InChIKeyUPESNKRHGHVIHR-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.29
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-enoxyhexane?
The IUPAC name of 1-hex-1-enoxyhexane (CID 54552326) is 1-hex-1-enoxyhexane.
What is the SMILES notation for 1-hex-1-enoxyhexane?
The canonical SMILES for 1-hex-1-enoxyhexane is CCCCC=COCCCCCC.
What is the InChIKey of 1-hex-1-enoxyhexane?
The InChIKey is UPESNKRHGHVIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3.
What are the key properties of 1-hex-1-enoxyhexane?
1-hex-1-enoxyhexane has a molecular weight of 184.32 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-enoxyhexane is sourced from PubChem (CID 54552326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).