2-pentylheptanoic acid

2-pentylheptanoic acid

CAS: 5422-52-6

Formula: C12H24O2

SMILES: CCCCCC(CCCCC)C(O)=O

IUPAC: 2-pentylheptanoic acid

InChI: InChI=1S/C12H24O2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

Composition: C (71.95%), H (12.08%), O (15.97%)

Molar Mass: 200.322

Atom Count: 38

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	200.177630013
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PLVOWOHSFJLXOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.65
Topological Polar Surface Area	37.3
Polarizability	23.34
Ring Count	0
Rotatable Bond Count	9

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