6-prop-2-enoxyhexane-1,2-diol

C9H18O3 — CID 10397275

IUPAC6-prop-2-enoxyhexane-1,2-diol
SMILESC=CCOCCCCC(O)CO
InChIInChI=1S/C9H18O3/c1-2-6-12-7-4-3-5-9(11)8-10/h2,9-11H,1,3-8H2
InChIKeyVLQGQNNONKOTPS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.71
Rot. Bonds8

About 6-prop-2-enoxyhexane-1,2-diol

6-prop-2-enoxyhexane-1,2-diol (PubChem CID 10397275) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-prop-2-enoxyhexane-1,2-diol.

Molecular Properties

Compound Name6-prop-2-enoxyhexane-1,2-diol
PubChem CID10397275
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name6-prop-2-enoxyhexane-1,2-diol
SMILESC=CCOCCCCC(O)CO
InChIInChI=1S/C9H18O3/c1-2-6-12-7-4-3-5-9(11)8-10/h2,9-11H,1,3-8H2
InChIKeyVLQGQNNONKOTPS-UHFFFAOYSA-N
XLogP0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-prop-2-enoxyhexane-1,2-diol?
The IUPAC name of 6-prop-2-enoxyhexane-1,2-diol (CID 10397275) is 6-prop-2-enoxyhexane-1,2-diol.
What is the SMILES notation for 6-prop-2-enoxyhexane-1,2-diol?
The canonical SMILES for 6-prop-2-enoxyhexane-1,2-diol is C=CCOCCCCC(O)CO.
What is the InChIKey of 6-prop-2-enoxyhexane-1,2-diol?
The InChIKey is VLQGQNNONKOTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-6-12-7-4-3-5-9(11)8-10/h2,9-11H,1,3-8H2.
What are the key properties of 6-prop-2-enoxyhexane-1,2-diol?
6-prop-2-enoxyhexane-1,2-diol has a molecular weight of 174.24 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxyhexane-1,2-diol is sourced from PubChem (CID 10397275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).