2-prop-2-enoxyhex-4-ene-1,3-diol

C9H16O3 — CID 85176376

IUPAC2-prop-2-enoxyhex-4-ene-1,3-diol
SMILESC=CCOC(CO)C(O)C=CC
InChIInChI=1S/C9H16O3/c1-3-5-8(11)9(7-10)12-6-4-2/h3-5,8-11H,2,6-7H2,1H3
InChIKeyFLADGUUTBWMKIE-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.49
Rot. Bonds6

About 2-prop-2-enoxyhex-4-ene-1,3-diol

2-prop-2-enoxyhex-4-ene-1,3-diol (PubChem CID 85176376) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-prop-2-enoxyhex-4-ene-1,3-diol.

Molecular Properties

Compound Name2-prop-2-enoxyhex-4-ene-1,3-diol
PubChem CID85176376
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-prop-2-enoxyhex-4-ene-1,3-diol
SMILESC=CCOC(CO)C(O)C=CC
InChIInChI=1S/C9H16O3/c1-3-5-8(11)9(7-10)12-6-4-2/h3-5,8-11H,2,6-7H2,1H3
InChIKeyFLADGUUTBWMKIE-UHFFFAOYSA-N
XLogP0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyhex-4-ene-1,3-diol?
The IUPAC name of 2-prop-2-enoxyhex-4-ene-1,3-diol (CID 85176376) is 2-prop-2-enoxyhex-4-ene-1,3-diol.
What is the SMILES notation for 2-prop-2-enoxyhex-4-ene-1,3-diol?
The canonical SMILES for 2-prop-2-enoxyhex-4-ene-1,3-diol is C=CCOC(CO)C(O)C=CC.
What is the InChIKey of 2-prop-2-enoxyhex-4-ene-1,3-diol?
The InChIKey is FLADGUUTBWMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-8(11)9(7-10)12-6-4-2/h3-5,8-11H,2,6-7H2,1H3.
What are the key properties of 2-prop-2-enoxyhex-4-ene-1,3-diol?
2-prop-2-enoxyhex-4-ene-1,3-diol has a molecular weight of 172.22 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyhex-4-ene-1,3-diol is sourced from PubChem (CID 85176376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).