2-dodecyl-1,3-propanediol

2-dodecyl-1,3-propanediol
Compound Structure:
Synonyms: 2-dodecylpropane-1,3-diol;10395-09-2;1,3-Propanediol, 2-dodecyl-;1,3-Propanediol, 2-dodecyl;2-Dodecyl-1,3-propanediol #;SCHEMBL5057787
Compound ID: NMPC-229
PubChem ID:

534446
Molecular Formula: C15H32O2
Canonical SMILES: CCCCCCCCCCCCC(CO)CO
InChIKey: YBTDSZAHFSIJBW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

244.41 g/mol

XLogP3-AA

5.4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

13

Exact Mass

244.240230259 g/mol

Monoisotopic Mass

244.240230259 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

133

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Senna tora
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