1-prop-2-enoxyhex-5-en-1-ol

C9H16O2 — CID 91566466

IUPAC1-prop-2-enoxyhex-5-en-1-ol
SMILESC=CCCCC(O)OCC=C
InChIInChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyFBDKSAWJQMFVGJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.86
Rot. Bonds7

About 1-prop-2-enoxyhex-5-en-1-ol

1-prop-2-enoxyhex-5-en-1-ol (PubChem CID 91566466) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-prop-2-enoxyhex-5-en-1-ol.

Molecular Properties

Compound Name1-prop-2-enoxyhex-5-en-1-ol
PubChem CID91566466
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-prop-2-enoxyhex-5-en-1-ol
SMILESC=CCCCC(O)OCC=C
InChIInChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyFBDKSAWJQMFVGJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyhex-5-en-1-ol?
The IUPAC name of 1-prop-2-enoxyhex-5-en-1-ol (CID 91566466) is 1-prop-2-enoxyhex-5-en-1-ol.
What is the SMILES notation for 1-prop-2-enoxyhex-5-en-1-ol?
The canonical SMILES for 1-prop-2-enoxyhex-5-en-1-ol is C=CCCCC(O)OCC=C.
What is the InChIKey of 1-prop-2-enoxyhex-5-en-1-ol?
The InChIKey is FBDKSAWJQMFVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 1-prop-2-enoxyhex-5-en-1-ol?
1-prop-2-enoxyhex-5-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyhex-5-en-1-ol is sourced from PubChem (CID 91566466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).