2,3-dichloropropyl 2,2-dimethylpropanoate

C8H14Cl2O2 — CID 102162680

IUPAC2,3-dichloropropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(Cl)CCl
InChIInChI=1S/C8H14Cl2O2/c1-8(2,3)7(11)12-5-6(10)4-9/h6H,4-5H2,1-3H3
InChIKeyGBMPPFMPFOTTDU-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.42
Rot. Bonds3

About 2,3-dichloropropyl 2,2-dimethylpropanoate

2,3-dichloropropyl 2,2-dimethylpropanoate (PubChem CID 102162680) has the molecular formula C8H14Cl2O2 and a molecular weight of 213.10 g/mol. Its IUPAC name is 2,3-dichloropropyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2,3-dichloropropyl 2,2-dimethylpropanoate
PubChem CID102162680
Molecular FormulaC8H14Cl2O2
Molecular Weight213.10 g/mol
Exact Mass212.04
IUPAC Name2,3-dichloropropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(Cl)CCl
InChIInChI=1S/C8H14Cl2O2/c1-8(2,3)7(11)12-5-6(10)4-9/h6H,4-5H2,1-3H3
InChIKeyGBMPPFMPFOTTDU-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
3-chlorobutyl 2,2-dimethylpropanoate
CID 11672837
[(2R)-2-(chloroamino)-3-sulfanylpropyl] 2,2-dimethylpropanoate
CID 143825709
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
[(2S,3R)-4,5-dibromo-2-(1,2-dibromoethyl)-3-(2,2-dimethylpropanoyloxymethyl)pentyl] 2,2-dimethylpropanoate
CID 10875917
[(2S)-2-[2-[[(2S)-1-(2,2-dimethylpropanoyloxy)butan-2-yl]amino]ethylamino]butyl] 2,2-dimethylpropanoate
CID 171348747
2-chloropropanoyl 2,2-dimethylpropanoate
CID 87115965
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
dimethoxymethylsilylmethyl 2,2-dimethylpropanoate
CID 150643555

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloropropyl 2,2-dimethylpropanoate?
The IUPAC name of 2,3-dichloropropyl 2,2-dimethylpropanoate (CID 102162680) is 2,3-dichloropropyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2,3-dichloropropyl 2,2-dimethylpropanoate?
The canonical SMILES for 2,3-dichloropropyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(Cl)CCl.
What is the InChIKey of 2,3-dichloropropyl 2,2-dimethylpropanoate?
The InChIKey is GBMPPFMPFOTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2/c1-8(2,3)7(11)12-5-6(10)4-9/h6H,4-5H2,1-3H3.
What are the key properties of 2,3-dichloropropyl 2,2-dimethylpropanoate?
2,3-dichloropropyl 2,2-dimethylpropanoate has a molecular weight of 213.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropropyl 2,2-dimethylpropanoate is sourced from PubChem (CID 102162680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).