[(2S,3S)-2-chloropentan-3-yl] formate

C6H11ClO2 — CID 130737322

IUPAC[(2S,3S)-2-chloropentan-3-yl] formate
SMILESCC[C@H](OC=O)[C@H](C)Cl
InChIInChI=1S/C6H11ClO2/c1-3-6(5(2)7)9-4-8/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyJRYIGYJRBIAAOU-WDSKDSINSA-N
MW150.60 g/mol
LogP1.57
Rot. Bonds4

About [(2S,3S)-2-chloropentan-3-yl] formate

[(2S,3S)-2-chloropentan-3-yl] formate (PubChem CID 130737322) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is [(2S,3S)-2-chloropentan-3-yl] formate.

Molecular Properties

Compound Name[(2S,3S)-2-chloropentan-3-yl] formate
PubChem CID130737322
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name[(2S,3S)-2-chloropentan-3-yl] formate
SMILESCC[C@H](OC=O)[C@H](C)Cl
InChIInChI=1S/C6H11ClO2/c1-3-6(5(2)7)9-4-8/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyJRYIGYJRBIAAOU-WDSKDSINSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Chloroformic acid 1-(chloromethyl)propyl ester
CID 102239875
1-Chloropropan-2-yl formate
CID 15049175
2-Chloropentyl formate
CID 21617080
4-Chloropentyl formate
CID 53803081
1-Chlorobutan-2-yl formate
CID 55301150
(1-Chloro-3-methoxybutyl) formate
CID 57290349
1-Chloropentyl formate
CID 87282867
4-Chlorobutan-2-yl formate
CID 151206996
2-Chloropropane;propan-2-yl formate
CID 159990950
[(3R,4S)-4-chlorohexan-3-yl] formate
CID 163819810
Sodium;1-chloropropan-2-yl formate;hydride
CID 174948049
1-Chlorohexan-2-yl formate
CID 11819377

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-chloropentan-3-yl] formate?
The IUPAC name of [(2S,3S)-2-chloropentan-3-yl] formate (CID 130737322) is [(2S,3S)-2-chloropentan-3-yl] formate.
What is the SMILES notation for [(2S,3S)-2-chloropentan-3-yl] formate?
The canonical SMILES for [(2S,3S)-2-chloropentan-3-yl] formate is CC[C@H](OC=O)[C@H](C)Cl.
What is the InChIKey of [(2S,3S)-2-chloropentan-3-yl] formate?
The InChIKey is JRYIGYJRBIAAOU-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-3-6(5(2)7)9-4-8/h4-6H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of [(2S,3S)-2-chloropentan-3-yl] formate?
[(2S,3S)-2-chloropentan-3-yl] formate has a molecular weight of 150.60 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-chloropentan-3-yl] formate is sourced from PubChem (CID 130737322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).