3,4-dimethylhex-3-ene-2,5-diol

C8H16O2 — CID 90773588

IUPAC3,4-dimethylhex-3-ene-2,5-diol
SMILESCC(=C(C)C(C)O)C(C)O
InChIInChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3
InChIKeyVFQOQCXUGDVRAP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds2

About 3,4-dimethylhex-3-ene-2,5-diol

3,4-dimethylhex-3-ene-2,5-diol (PubChem CID 90773588) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3,4-dimethylhex-3-ene-2,5-diol.

Molecular Properties

Compound Name3,4-dimethylhex-3-ene-2,5-diol
PubChem CID90773588
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3,4-dimethylhex-3-ene-2,5-diol
SMILESCC(=C(C)C(C)O)C(C)O
InChIInChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3
InChIKeyVFQOQCXUGDVRAP-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 3,4-dimethylhex-3-ene-2,5-diol?
The IUPAC name of 3,4-dimethylhex-3-ene-2,5-diol (CID 90773588) is 3,4-dimethylhex-3-ene-2,5-diol.
What is the SMILES notation for 3,4-dimethylhex-3-ene-2,5-diol?
The canonical SMILES for 3,4-dimethylhex-3-ene-2,5-diol is CC(=C(C)C(C)O)C(C)O.
What is the InChIKey of 3,4-dimethylhex-3-ene-2,5-diol?
The InChIKey is VFQOQCXUGDVRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3.
What are the key properties of 3,4-dimethylhex-3-ene-2,5-diol?
3,4-dimethylhex-3-ene-2,5-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-3-ene-2,5-diol is sourced from PubChem (CID 90773588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).