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

C8H18O2 — CID 159680297

IUPAC2-methylbut-2-ene;propane-1,2-diol
SMILESCC(O)CO.CC=C(C)C
InChIInChI=1S/C5H10.C3H8O2/c1-4-5(2)3;1-3(5)2-4/h4H,1-3H3;3-5H,2H2,1H3
InChIKeyMVCYRNGZDPLSOJ-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.33
Rot. Bonds1

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

2-methylbut-2-ene;propane-1,2-diol (PubChem CID 159680297) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methylbut-2-ene;propane-1,2-diol.

Molecular Properties

Compound Name2-methylbut-2-ene;propane-1,2-diol
PubChem CID159680297
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-methylbut-2-ene;propane-1,2-diol
SMILESCC(O)CO.CC=C(C)C
InChIInChI=1S/C5H10.C3H8O2/c1-4-5(2)3;1-3(5)2-4/h4H,1-3H3;3-5H,2H2,1H3
InChIKeyMVCYRNGZDPLSOJ-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.33
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-methylbut-2-ene;propane-1,2-diol?
The IUPAC name of 2-methylbut-2-ene;propane-1,2-diol (CID 159680297) is 2-methylbut-2-ene;propane-1,2-diol.
What is the SMILES notation for 2-methylbut-2-ene;propane-1,2-diol?
The canonical SMILES for 2-methylbut-2-ene;propane-1,2-diol is CC(O)CO.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;propane-1,2-diol?
The InChIKey is MVCYRNGZDPLSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C3H8O2/c1-4-5(2)3;1-3(5)2-4/h4H,1-3H3;3-5H,2H2,1H3.
What are the key properties of 2-methylbut-2-ene;propane-1,2-diol?
2-methylbut-2-ene;propane-1,2-diol has a molecular weight of 146.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;propane-1,2-diol is sourced from PubChem (CID 159680297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).