2-butoxyethyl 3-chloro-2-methylpropanoate

C10H19ClO3 — CID 175064019

IUPAC2-butoxyethyl 3-chloro-2-methylpropanoate
SMILESCCCCOCCOC(=O)C(C)CCl
InChIInChI=1S/C10H19ClO3/c1-3-4-5-13-6-7-14-10(12)9(2)8-11/h9H,3-8H2,1-2H3
InChIKeyJGTWJWYQKIRSLC-UHFFFAOYSA-N
MW222.71 g/mol
LogP2.22
Rot. Bonds8

About 2-butoxyethyl 3-chloro-2-methylpropanoate

2-butoxyethyl 3-chloro-2-methylpropanoate (PubChem CID 175064019) has the molecular formula C10H19ClO3 and a molecular weight of 222.71 g/mol. Its IUPAC name is 2-butoxyethyl 3-chloro-2-methylpropanoate.

Molecular Properties

Compound Name2-butoxyethyl 3-chloro-2-methylpropanoate
PubChem CID175064019
Molecular FormulaC10H19ClO3
Molecular Weight222.71 g/mol
Exact Mass222.10
IUPAC Name2-butoxyethyl 3-chloro-2-methylpropanoate
SMILESCCCCOCCOC(=O)C(C)CCl
InChIInChI=1S/C10H19ClO3/c1-3-4-5-13-6-7-14-10(12)9(2)8-11/h9H,3-8H2,1-2H3
InChIKeyJGTWJWYQKIRSLC-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethyl 2-chloroacetate
CID 13259947
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
2-butoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018535
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
2-carbonochloridoyloxyethyl 3-chloro-2-methylpropanoate
CID 13245070
1,4-bis(2-butoxyethoxy)-1,4-dioxobutane-2-sulfonic acid;1,4-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dioxobutane-2-sulfonic acid
CID 160545561
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
2-hexoxyethyl 2-methylpropanoate
CID 88618751
2-butoxyethyl 2-aminoacetate
CID 61304060
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 3-chloro-2-methylpropanoate?
The IUPAC name of 2-butoxyethyl 3-chloro-2-methylpropanoate (CID 175064019) is 2-butoxyethyl 3-chloro-2-methylpropanoate.
What is the SMILES notation for 2-butoxyethyl 3-chloro-2-methylpropanoate?
The canonical SMILES for 2-butoxyethyl 3-chloro-2-methylpropanoate is CCCCOCCOC(=O)C(C)CCl.
What is the InChIKey of 2-butoxyethyl 3-chloro-2-methylpropanoate?
The InChIKey is JGTWJWYQKIRSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3/c1-3-4-5-13-6-7-14-10(12)9(2)8-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-butoxyethyl 3-chloro-2-methylpropanoate?
2-butoxyethyl 3-chloro-2-methylpropanoate has a molecular weight of 222.71 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 3-chloro-2-methylpropanoate is sourced from PubChem (CID 175064019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).