(E)-4-ethylhex-2-ene-1,4-diol

C8H16O2 — CID 21188872

IUPAC(E)-4-ethylhex-2-ene-1,4-diol
SMILESCCC(O)(/C=C/CO)CC
InChIInChI=1S/C8H16O2/c1-3-8(10,4-2)6-5-7-9/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyQWQZUZBHNBOACG-AATRIKPKSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds4

About (E)-4-ethylhex-2-ene-1,4-diol

(E)-4-ethylhex-2-ene-1,4-diol (PubChem CID 21188872) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-4-ethylhex-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-4-ethylhex-2-ene-1,4-diol
PubChem CID21188872
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-4-ethylhex-2-ene-1,4-diol
SMILESCCC(O)(/C=C/CO)CC
InChIInChI=1S/C8H16O2/c1-3-8(10,4-2)6-5-7-9/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyQWQZUZBHNBOACG-AATRIKPKSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
3,7-Dimethyl-1,5-octadien-3,7-diol
CID 5352451
(6E)-8-Hydroxylinalool
CID 5280678
2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-
CID 13619433
Npc213918
CID 5352452
2,6-Dimethyl-3,7-octadiene-2,6-diol
CID 527050
10-Hydroxygeraniol
CID 11480693
(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
CID 86583467
Boletinin A
CID 11198071
(3Z)-5-(1,1-Dimethylethyl)-3-octene-2,5-diol
CID 87676620
(2Z,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21630854
(2E,6E,10E,13E)-3,7,11,15-Tetramethyl-2,6,10,13-hexadecatetraene-1,15-diol
CID 10040832

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethylhex-2-ene-1,4-diol?
The IUPAC name of (E)-4-ethylhex-2-ene-1,4-diol (CID 21188872) is (E)-4-ethylhex-2-ene-1,4-diol.
What is the SMILES notation for (E)-4-ethylhex-2-ene-1,4-diol?
The canonical SMILES for (E)-4-ethylhex-2-ene-1,4-diol is CCC(O)(/C=C/CO)CC.
What is the InChIKey of (E)-4-ethylhex-2-ene-1,4-diol?
The InChIKey is QWQZUZBHNBOACG-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(10,4-2)6-5-7-9/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of (E)-4-ethylhex-2-ene-1,4-diol?
(E)-4-ethylhex-2-ene-1,4-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethylhex-2-ene-1,4-diol is sourced from PubChem (CID 21188872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).