2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol

C11H22O3 — CID 87872230

IUPAC2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol
SMILESC=C(C)COCC(=C)C.CC(O)CO
InChIInChI=1S/C8H14O.C3H8O2/c1-7(2)5-9-6-8(3)4;1-3(5)2-4/h1,3,5-6H2,2,4H3;3-5H,2H2,1H3
InChIKeyJIRCNHIJUUVOPA-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol

2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol (PubChem CID 87872230) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol
PubChem CID87872230
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol
SMILESC=C(C)COCC(=C)C.CC(O)CO
InChIInChI=1S/C8H14O.C3H8O2/c1-7(2)5-9-6-8(3)4;1-3(5)2-4/h1,3,5-6H2,2,4H3;3-5H,2H2,1H3
InChIKeyJIRCNHIJUUVOPA-UHFFFAOYSA-N
XLogP1.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol (CID 87872230) is 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol is C=C(C)COCC(=C)C.CC(O)CO.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol?
The InChIKey is JIRCNHIJUUVOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C3H8O2/c1-7(2)5-9-6-8(3)4;1-3(5)2-4/h1,3,5-6H2,2,4H3;3-5H,2H2,1H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol?
2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol has a molecular weight of 202.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;propane-1,2-diol is sourced from PubChem (CID 87872230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).