2,3-dimethylpent-4-ene-2,3-diol

C7H14O2 — CID 14713005

IUPAC2,3-dimethylpent-4-ene-2,3-diol
SMILESC=CC(C)(O)C(C)(C)O
InChIInChI=1S/C7H14O2/c1-5-7(4,9)6(2,3)8/h5,8-9H,1H2,2-4H3
InChIKeyZOAGZJHBLMWYMV-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.69
Rot. Bonds2

About 2,3-dimethylpent-4-ene-2,3-diol

2,3-dimethylpent-4-ene-2,3-diol (PubChem CID 14713005) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,3-dimethylpent-4-ene-2,3-diol.

Molecular Properties

Compound Name2,3-dimethylpent-4-ene-2,3-diol
PubChem CID14713005
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,3-dimethylpent-4-ene-2,3-diol
SMILESC=CC(C)(O)C(C)(C)O
InChIInChI=1S/C7H14O2/c1-5-7(4,9)6(2,3)8/h5,8-9H,1H2,2-4H3
InChIKeyZOAGZJHBLMWYMV-UHFFFAOYSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.69
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 2,3-dimethylpent-4-ene-2,3-diol?
The IUPAC name of 2,3-dimethylpent-4-ene-2,3-diol (CID 14713005) is 2,3-dimethylpent-4-ene-2,3-diol.
What is the SMILES notation for 2,3-dimethylpent-4-ene-2,3-diol?
The canonical SMILES for 2,3-dimethylpent-4-ene-2,3-diol is C=CC(C)(O)C(C)(C)O.
What is the InChIKey of 2,3-dimethylpent-4-ene-2,3-diol?
The InChIKey is ZOAGZJHBLMWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-7(4,9)6(2,3)8/h5,8-9H,1H2,2-4H3.
What are the key properties of 2,3-dimethylpent-4-ene-2,3-diol?
2,3-dimethylpent-4-ene-2,3-diol has a molecular weight of 130.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-4-ene-2,3-diol is sourced from PubChem (CID 14713005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).