HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

3-Chloro-2,3-dimethylpentane

HCID 521887
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
595-38-0
Standard SMILES
CCC(C)(Cl)C(C)C
InChIKey
ZLYYSVISQMZHFU-UHFFFAOYSA-N
Molecular formula
C7H15Cl
Average molar mass
134.65 g/mol
Monoisotopic mass
134.0862282

Names & identifiers

Preferred name
3-Chloro-2,3-dimethylpentane
IUPAC
3-chloro-2,3-dimethylpentane

Names & synonyms

3-Chloro-2,3-dimethylpentane595-38-0DTXSID10974905RefChem:1067557DTXCID801402322Pentane, 3-chloro-2,3-dimethyl-3-Chlor-2,3-dimethyl-pentan3-chloro-2,3-dimethyl-pentaneZLYYSVISQMZHFU-UHFFFAOYSA-N

Database identifiers

CAS
595-38-0
PubChem CID
521887
DTXSID
DTXSID10974905
Nikkaji
J95.499C

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
8
Formal charge
0
Complexity
68.8

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes