3-Pentanol, 2-chloro-4-methyl-

3-Pentanol, 2-chloro-4-methyl-
Compound Structure:
Synonyms: 2-Chlor-4-methylpentan-3-ol;2-Chloro-4-methyl-3-pentanol #;3-Pentanol, 2-chloro-4-methyl-, (R*,R*)-(.+/-.)-
Compound ID: NMPC-375
PubChem ID:

552031
Molecular Formula: C6H13ClO
Canonical SMILES: CC(C)C(C(C)Cl)O
InChIKey: IOHWHYWLEQQHQB-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

136.62 g/mol

XLogP3-AA

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

136.0654927 g/mol

Monoisotopic Mass

136.0654927 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

63.5

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Musa paradisiaca
Persea americana
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