2,4-dimethylpent-4-ene-1,3-diol

C7H14O2 — CID 13129933

IUPAC2,4-dimethylpent-4-ene-1,3-diol
SMILESC=C(C)C(O)C(C)CO
InChIInChI=1S/C7H14O2/c1-5(2)7(9)6(3)4-8/h6-9H,1,4H2,2-3H3
InChIKeyZKVXNQDYHDAOJS-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.55
Rot. Bonds3

About 2,4-dimethylpent-4-ene-1,3-diol

2,4-dimethylpent-4-ene-1,3-diol (PubChem CID 13129933) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,4-dimethylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name2,4-dimethylpent-4-ene-1,3-diol
PubChem CID13129933
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,4-dimethylpent-4-ene-1,3-diol
SMILESC=C(C)C(O)C(C)CO
InChIInChI=1S/C7H14O2/c1-5(2)7(9)6(3)4-8/h6-9H,1,4H2,2-3H3
InChIKeyZKVXNQDYHDAOJS-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.55
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 2,4-dimethylpent-4-ene-1,3-diol?
The IUPAC name of 2,4-dimethylpent-4-ene-1,3-diol (CID 13129933) is 2,4-dimethylpent-4-ene-1,3-diol.
What is the SMILES notation for 2,4-dimethylpent-4-ene-1,3-diol?
The canonical SMILES for 2,4-dimethylpent-4-ene-1,3-diol is C=C(C)C(O)C(C)CO.
What is the InChIKey of 2,4-dimethylpent-4-ene-1,3-diol?
The InChIKey is ZKVXNQDYHDAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)7(9)6(3)4-8/h6-9H,1,4H2,2-3H3.
What are the key properties of 2,4-dimethylpent-4-ene-1,3-diol?
2,4-dimethylpent-4-ene-1,3-diol has a molecular weight of 130.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-4-ene-1,3-diol is sourced from PubChem (CID 13129933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).