2-methylprop-1-ene;propane-1,2-diol

C7H16O2 — CID 161010082

IUPAC2-methylprop-1-ene;propane-1,2-diol
SMILESC=C(C)C.CC(O)CO
InChIInChI=1S/C4H8.C3H8O2/c1-4(2)3;1-3(5)2-4/h1H2,2-3H3;3-5H,2H2,1H3
InChIKeyTXACYVNDUZCUJB-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.94
Rot. Bonds1

About 2-methylprop-1-ene;propane-1,2-diol

2-methylprop-1-ene;propane-1,2-diol (PubChem CID 161010082) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-methylprop-1-ene;propane-1,2-diol.

Molecular Properties

Compound Name2-methylprop-1-ene;propane-1,2-diol
PubChem CID161010082
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-methylprop-1-ene;propane-1,2-diol
SMILESC=C(C)C.CC(O)CO
InChIInChI=1S/C4H8.C3H8O2/c1-4(2)3;1-3(5)2-4/h1H2,2-3H3;3-5H,2H2,1H3
InChIKeyTXACYVNDUZCUJB-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.94
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-methylprop-1-ene;propane-1,2-diol?
The IUPAC name of 2-methylprop-1-ene;propane-1,2-diol (CID 161010082) is 2-methylprop-1-ene;propane-1,2-diol.
What is the SMILES notation for 2-methylprop-1-ene;propane-1,2-diol?
The canonical SMILES for 2-methylprop-1-ene;propane-1,2-diol is C=C(C)C.CC(O)CO.
What is the InChIKey of 2-methylprop-1-ene;propane-1,2-diol?
The InChIKey is TXACYVNDUZCUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8O2/c1-4(2)3;1-3(5)2-4/h1H2,2-3H3;3-5H,2H2,1H3.
What are the key properties of 2-methylprop-1-ene;propane-1,2-diol?
2-methylprop-1-ene;propane-1,2-diol has a molecular weight of 132.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;propane-1,2-diol is sourced from PubChem (CID 161010082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).