((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate

C17H28O6 — CID 174364

IUPAC3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
SMILESCC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C
InChIInChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3
InChIKeyNQGDHQASSFDDLD-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.80
Rot. Bonds16

About ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate

((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate (PubChem CID 174364) has the molecular formula C17H28O6 and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate
PubChem CID174364
Molecular FormulaC17H28O6
Molecular Weight328.40 g/mol
Exact Mass328.19
IUPAC Name3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
SMILESCC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C
InChIInChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3
InChIKeyNQGDHQASSFDDLD-UHFFFAOYSA-N
XLogP2.80
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate?
The IUPAC name of ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate (CID 174364) is 3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate.
What is the SMILES notation for ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate?
The canonical SMILES for ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate is CC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C.
What is the InChIKey of ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate?
The InChIKey is NQGDHQASSFDDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3.
What are the key properties of ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate?
((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate has a molecular weight of 328.40 g/mol, XLogP of 2.80, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate is sourced from PubChem (CID 174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).