3-methylpent-2-ene-1,2-diol

C6H12O2 — CID 76549782

IUPAC3-methylpent-2-ene-1,2-diol
SMILESCCC(C)=C(O)CO
InChIInChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h7-8H,3-4H2,1-2H3
InChIKeyAKTLTUFKDGAEGT-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.22
Rot. Bonds2

About 3-methylpent-2-ene-1,2-diol

3-methylpent-2-ene-1,2-diol (PubChem CID 76549782) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methylpent-2-ene-1,2-diol.

Molecular Properties

Compound Name3-methylpent-2-ene-1,2-diol
PubChem CID76549782
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methylpent-2-ene-1,2-diol
SMILESCCC(C)=C(O)CO
InChIInChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h7-8H,3-4H2,1-2H3
InChIKeyAKTLTUFKDGAEGT-UHFFFAOYSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylpent-2-ene-1,2-diol?
The IUPAC name of 3-methylpent-2-ene-1,2-diol (CID 76549782) is 3-methylpent-2-ene-1,2-diol.
What is the SMILES notation for 3-methylpent-2-ene-1,2-diol?
The canonical SMILES for 3-methylpent-2-ene-1,2-diol is CCC(C)=C(O)CO.
What is the InChIKey of 3-methylpent-2-ene-1,2-diol?
The InChIKey is AKTLTUFKDGAEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5(2)6(8)4-7/h7-8H,3-4H2,1-2H3.
What are the key properties of 3-methylpent-2-ene-1,2-diol?
3-methylpent-2-ene-1,2-diol has a molecular weight of 116.16 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-2-ene-1,2-diol is sourced from PubChem (CID 76549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).