1-Sec-butoxybutane

1-Sec-butoxybutane
Compound Structure:
Synonyms: 1-sec-butoxy-butane
Compound ID: NMPC-126
PubChem ID:

54498581
Molecular Formula: C8H18O
Canonical SMILES: CCCCOC(C)CC
InChIKey: LPVMPBNUHJKNHA-MRVPVSSYSA-N
About the compound:
Properties:

Chemical and Physical Properties

property Name

Property Value

Molecular Weight

130.23 g/mol

XLogP3-AA

2.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

130.135765193 g/mol

Monoisotopic Mass

130.135765193 g/mol

Topological Polar Surface Area

9.2Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

52.5

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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: Scleria depressa
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