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3,5,5-trimethylhexanoyl chloride

3,5,5-trimethylhexanoyl chloride

CAS: 36727-29-4

Formula: C9H17ClO

SMILES: CC(CC(Cl)=O)CC(C)(C)C

IUPAC: 3,5,5-trimethylhexanoyl chloride

InChI: InChI=1/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

Composition: C (61.18%), H (9.70%), Cl (20.06%), O (9.06%)

Molar Mass: 176.68

Atom Count: 28

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 176.0967929
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GEKPNPPFAYJZRD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.5
Topological Polar Surface Area 17.07
Polarizability 19.24
Ring Count 0
Rotatable Bond Count 4

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