3-Chloro-2-methyl-2-pentanol

HCID 547733

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Basic information

CAS: 74685-49-7
Standard SMILES: CCC(Cl)C(C)(C)O
InChIKey: NZRNIYUJHYKFBO-UHFFFAOYSA-N
Molecular formula: C6H13ClO
Average molar mass: 136.62 g/mol
Monoisotopic mass: 136.0654927

Names & identifiers

Preferred name: 3-Chloro-2-methyl-2-pentanol
IUPAC: 3-chloro-2-methylpentan-2-ol
English name: 3-Chloro-2-methyl-2-pentanol
Molecular weight: 0

Names & synonyms

3-Chloro-2-methyl-2-pentanol74685-49-7DTXSID30338227RefChem:1067568DTXCID602893143-chloro-2-methylpentan-2-ol2-Pentanol, 3-chloro-2-methyl-SCHEMBL10543871SCHEMBL10543876NZRNIYUJHYKFBO-UHFFFAOYSA-N3-Chloro-2-methyl-2-pentanol #

Database identifiers

CAS: 74685-49-7
PubChem CID: 547733
DTXSID: DTXSID30338227
Nikkaji: J126.101K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 70.9

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