5-Methylhexanoyl chloride

CAT: 0127-OR1004097-05Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1004097-05Size:2.5 g

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CAS Number

5699-78-5

MDL Number

MFCD02258697

Purity

95%

Smiles

O=C(Cl)CCCC(C)C

Chemical Information

5-Methylhexanoyl chloride

CAS Number	5699-78-5
PubChem CID	13664865
IUPAC Name	5-methylhexanoyl chloride
Molecular Formula	C7H13ClO
Molecular Weight	148.63
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CC(C)CCCC(=O)Cl

InChI

InChI=1S/C7H13ClO/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3

InChIKey

HLDHFOCXVJJMBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5699-78-5

CID: 13664865

Formula: C7H13ClO

MW: 148.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.63
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	148.0654927
Monoisotopic Mass	148.0654927
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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