3-ethylhexa-4,5-diene-2,3-diol

C8H14O2 — CID 57290537

IUPAC3-ethylhexa-4,5-diene-2,3-diol
SMILESC=C=CC(O)(CC)C(C)O
InChIInChI=1S/C8H14O2/c1-4-6-8(10,5-2)7(3)9/h6-7,9-10H,1,5H2,2-3H3
InChIKeyPQDMDMZNFKOTBF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.85
Rot. Bonds3

About 3-ethylhexa-4,5-diene-2,3-diol

3-ethylhexa-4,5-diene-2,3-diol (PubChem CID 57290537) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethylhexa-4,5-diene-2,3-diol.

Molecular Properties

Compound Name3-ethylhexa-4,5-diene-2,3-diol
PubChem CID57290537
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethylhexa-4,5-diene-2,3-diol
SMILESC=C=CC(O)(CC)C(C)O
InChIInChI=1S/C8H14O2/c1-4-6-8(10,5-2)7(3)9/h6-7,9-10H,1,5H2,2-3H3
InChIKeyPQDMDMZNFKOTBF-UHFFFAOYSA-N
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylhexa-4,5-diene-2,3-diol?
The IUPAC name of 3-ethylhexa-4,5-diene-2,3-diol (CID 57290537) is 3-ethylhexa-4,5-diene-2,3-diol.
What is the SMILES notation for 3-ethylhexa-4,5-diene-2,3-diol?
The canonical SMILES for 3-ethylhexa-4,5-diene-2,3-diol is C=C=CC(O)(CC)C(C)O.
What is the InChIKey of 3-ethylhexa-4,5-diene-2,3-diol?
The InChIKey is PQDMDMZNFKOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-8(10,5-2)7(3)9/h6-7,9-10H,1,5H2,2-3H3.
What are the key properties of 3-ethylhexa-4,5-diene-2,3-diol?
3-ethylhexa-4,5-diene-2,3-diol has a molecular weight of 142.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhexa-4,5-diene-2,3-diol is sourced from PubChem (CID 57290537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).