2-methylprop-1-ene;bis(propane-1,2-diol)

C10H24O4 — CID 87167791

IUPAC2-methylprop-1-ene;bis(propane-1,2-diol)
SMILESC=C(C)C.CC(O)CO.CC(O)CO
InChIInChI=1S/C4H8.2C3H8O2/c1-4(2)3;2*1-3(5)2-4/h1H2,2-3H3;2*3-5H,2H2,1H3
InChIKeyMSXLUTQZKJGVFK-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.30
Rot. Bonds2

About 2-methylprop-1-ene;bis(propane-1,2-diol)

2-methylprop-1-ene;bis(propane-1,2-diol) (PubChem CID 87167791) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methylprop-1-ene;bis(propane-1,2-diol).

Molecular Properties

Compound Name2-methylprop-1-ene;bis(propane-1,2-diol)
PubChem CID87167791
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Name2-methylprop-1-ene;bis(propane-1,2-diol)
SMILESC=C(C)C.CC(O)CO.CC(O)CO
InChIInChI=1S/C4H8.2C3H8O2/c1-4(2)3;2*1-3(5)2-4/h1H2,2-3H3;2*3-5H,2H2,1H3
InChIKeyMSXLUTQZKJGVFK-UHFFFAOYSA-N
XLogP0.30
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;bis(propane-1,2-diol)?
The IUPAC name of 2-methylprop-1-ene;bis(propane-1,2-diol) (CID 87167791) is 2-methylprop-1-ene;bis(propane-1,2-diol).
What is the SMILES notation for 2-methylprop-1-ene;bis(propane-1,2-diol)?
The canonical SMILES for 2-methylprop-1-ene;bis(propane-1,2-diol) is C=C(C)C.CC(O)CO.CC(O)CO.
What is the InChIKey of 2-methylprop-1-ene;bis(propane-1,2-diol)?
The InChIKey is MSXLUTQZKJGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2C3H8O2/c1-4(2)3;2*1-3(5)2-4/h1H2,2-3H3;2*3-5H,2H2,1H3.
What are the key properties of 2-methylprop-1-ene;bis(propane-1,2-diol)?
2-methylprop-1-ene;bis(propane-1,2-diol) has a molecular weight of 208.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;bis(propane-1,2-diol) is sourced from PubChem (CID 87167791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).