2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane

C14H24O3 — CID 10657693

IUPAC2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane
SMILESC=CCOCC(C)(COCC=C)COCC=C
InChIInChI=1S/C14H24O3/c1-5-8-15-11-14(4,12-16-9-6-2)13-17-10-7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyHDIXSDCAEAWANS-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.60
Rot. Bonds12

About 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane

2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane (PubChem CID 10657693) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane.

Molecular Properties

Compound Name2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane
PubChem CID10657693
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane
SMILESC=CCOCC(C)(COCC=C)COCC=C
InChIInChI=1S/C14H24O3/c1-5-8-15-11-14(4,12-16-9-6-2)13-17-10-7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyHDIXSDCAEAWANS-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane?
The IUPAC name of 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane (CID 10657693) is 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane.
What is the SMILES notation for 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane?
The canonical SMILES for 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane is C=CCOCC(C)(COCC=C)COCC=C.
What is the InChIKey of 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane?
The InChIKey is HDIXSDCAEAWANS-UHFFFAOYSA-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/h5-7H,1-3,8-13H2,4H3.
What are the key properties of 2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane?
2-methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane has a molecular weight of 240.34 g/mol, XLogP of 2.60, 12 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(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane is sourced from PubChem (CID 10657693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).