2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane

C14H24O3 — CID 23556500

IUPAC2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane
SMILESC/C=C/OCC(C)(CO/C=C/C)CO/C=C/C
InChIInChI=1S/C14H24O3/c1-5-8-15-11-14(4,12-16-9-6-2)13-17-10-7-3/h5-10H,11-13H2,1-4H3/b8-5+,9-6+,10-7+
InChIKeyKVXZUNJZHJOBKG-DVJWZOGQSA-N
MW240.34 g/mol
LogP3.64
Rot. Bonds9

About 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane

2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane (PubChem CID 23556500) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane.

Molecular Properties

Compound Name2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane
PubChem CID23556500
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane
SMILESC/C=C/OCC(C)(CO/C=C/C)CO/C=C/C
InChIInChI=1S/C14H24O3/c1-5-8-15-11-14(4,12-16-9-6-2)13-17-10-7-3/h5-10H,11-13H2,1-4H3/b8-5+,9-6+,10-7+
InChIKeyKVXZUNJZHJOBKG-DVJWZOGQSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
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-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane?
The IUPAC name of 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane (CID 23556500) is 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane.
What is the SMILES notation for 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane?
The canonical SMILES for 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane is C/C=C/OCC(C)(CO/C=C/C)CO/C=C/C.
What is the InChIKey of 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane?
The InChIKey is KVXZUNJZHJOBKG-DVJWZOGQSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-8-15-11-14(4,12-16-9-6-2)13-17-10-7-3/h5-10H,11-13H2,1-4H3/b8-5+,9-6+,10-7+.
What are the key properties of 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane?
2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane has a molecular weight of 240.34 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane is sourced from PubChem (CID 23556500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).