Basic information
- CAS
129871-04-1- Standard SMILES
CC(CO)(CO)C(=O)O.CCC(CO)(CO)CO.O=C1CCCCCO1.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1- InChIKey
UCMFAUFRJRBLHB-UHFFFAOYSA-N- Molecular formula
- C32H56N2O11
- Average molar mass
- 644.8 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-2-(hydroxymethyl)propane-1,3-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
- IUPAC
- 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
- English name
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and 2-oxepanone
- Molecular formula
- C32H56N2O11
- Molecular weight
- 644.79384
Names & synonyms
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and 2-oxepanone
Database identifiers
- CAS
129871-04-1
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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