1,4-dichloro-4-methylpentane

CAT: 0127-OR22166Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

54305-91-8

MDL Number

MFCD00204041

Smiles

CC (C) (Cl) CCCCl

Chemical Information

1,4-Dichloro-4-methylpentane

CAS Number	54305-91-8
PubChem CID	2775315
IUPAC Name	1,4-dichloro-4-methylpentane
Molecular Formula	C6H12Cl2
Molecular Weight	155.06
XLogP	2.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	59

SMILES

CC(C)(CCCCl)Cl

InChI

InChI=1S/C6H12Cl2/c1-6(2,8)4-3-5-7/h3-5H2,1-2H3

InChIKey

QMQDOJKBGXQCRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54305-91-8

CID: 2775315

Formula: C6H12Cl2

MW: 155.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.06
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	154.0316058
Monoisotopic Mass	154.0316058
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	59.5
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

Catalog	Name
OR1069325-01	1-Iodo-4-methylpentane
OR22928-01	1-Chloro-4-methylpentane
OR1009410-01	1-Bromo-4-Methylpentane
OR1049455-01	4-Methylpentane-1-sulfonyl chloride
OR1043672-01	2-Bromo-4-methylpentane
OR79223-01	1-Cyclohexyl-4-methylpentane-1,3-dione
PC6479-01	Perfluoro (1-bromo-3-oxa-4-methylpentane)
OR1095839	4,4'-Dichloro-1,1'-biphenyl
OR79219-01	1- (Furan-2-yl) -4-methylpentane-1,3-dione
PC2405G	4,4-Dichloro-4-fluorobutan-1-ol

Catalog	Name
ECA30591-01	1,4-Dichloro-4-methylpentane
sc-224576	1-Bromo-4-methylpentane
EDA70954-01	1-Isocyanato-4-methylpentane
KCA15483-01	4-Methylpentane-1-sulfonyl chloride
TRC-B488078-5MG	4-Methylpentane-1,3-diol
B22630-01	1-Bromo-4-methylpentane 98%
415928-01	2-Bromo-4-methylpentane
GBA29496-01	2-Iodo-4-methylpentane
AR-P30705-01	2-Chloro-4-Methylpentane
JBD31426-01	1-Bromo-2-methoxy-4-methylpentane