4-ethylhex-1-ene-3,4-diol

C8H16O2 — CID 91334043

IUPAC4-ethylhex-1-ene-3,4-diol
SMILESC=CC(O)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-4-7(9)8(10,5-2)6-3/h4,7,9-10H,1,5-6H2,2-3H3
InChIKeyUUEOUUMXGCORRJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About 4-ethylhex-1-ene-3,4-diol

4-ethylhex-1-ene-3,4-diol (PubChem CID 91334043) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-ethylhex-1-ene-3,4-diol.

Molecular Properties

Compound Name4-ethylhex-1-ene-3,4-diol
PubChem CID91334043
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-ethylhex-1-ene-3,4-diol
SMILESC=CC(O)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-4-7(9)8(10,5-2)6-3/h4,7,9-10H,1,5-6H2,2-3H3
InChIKeyUUEOUUMXGCORRJ-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-ethylhex-1-ene-3,4-diol?
The IUPAC name of 4-ethylhex-1-ene-3,4-diol (CID 91334043) is 4-ethylhex-1-ene-3,4-diol.
What is the SMILES notation for 4-ethylhex-1-ene-3,4-diol?
The canonical SMILES for 4-ethylhex-1-ene-3,4-diol is C=CC(O)C(O)(CC)CC.
What is the InChIKey of 4-ethylhex-1-ene-3,4-diol?
The InChIKey is UUEOUUMXGCORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7(9)8(10,5-2)6-3/h4,7,9-10H,1,5-6H2,2-3H3.
What are the key properties of 4-ethylhex-1-ene-3,4-diol?
4-ethylhex-1-ene-3,4-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhex-1-ene-3,4-diol is sourced from PubChem (CID 91334043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).