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

C12H24O3 — CID 87658923

IUPAC2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol
SMILESCC(C)=COC=C(C)C.CC(CO)CO
InChIInChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(2-5)3-6/h5-6H,1-4H3;4-6H,2-3H2,1H3
InChIKeyULLQYOYTTXKKGG-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.46
Rot. Bonds4

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

2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol (PubChem CID 87658923) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol
PubChem CID87658923
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol
SMILESCC(C)=COC=C(C)C.CC(CO)CO
InChIInChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(2-5)3-6/h5-6H,1-4H3;4-6H,2-3H2,1H3
InChIKeyULLQYOYTTXKKGG-UHFFFAOYSA-N
XLogP2.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol?
The IUPAC name of 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol (CID 87658923) is 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol.
What is the SMILES notation for 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol?
The canonical SMILES for 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol is CC(C)=COC=C(C)C.CC(CO)CO.
What is the InChIKey of 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol?
The InChIKey is ULLQYOYTTXKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(2-5)3-6/h5-6H,1-4H3;4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol?
2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol has a molecular weight of 216.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol is sourced from PubChem (CID 87658923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).