undecan-2-one

undecan-2-one

CAS: 112-12-9

Formula: C11H22O

SMILES: CCCCCCCCCC(C)=O

IUPAC: undecan-2-one

InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

Composition: C (77.58%), H (13.02%), O (9.39%)

Molar Mass: 170.296

Atom Count: 34

Heavy Atom Count: 12

Properties

Properties

Common Names	2-undecanone (natural); Mnk; caswell no. 573O; epa pesticide chemical code 044102; mgk dog and cat repellent; rue ketone
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	170.167065328
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KYWIYKKSMDLRDC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.03
Topological Polar Surface Area	17.07
Polarizability	21.08
Ring Count	0
Rotatable Bond Count	8

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