2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate

C10H15ClO4 — CID 169323749

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)CCl
InChIInChI=1S/C10H15ClO4/c1-7(2)9(12)14-4-5-15-10(13)8(3)6-11/h8H,1,4-6H2,2-3H3
InChIKeyXNDJLUWWKJXALE-UHFFFAOYSA-N
MW234.68 g/mol
LogP1.52
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate

2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate (PubChem CID 169323749) has the molecular formula C10H15ClO4 and a molecular weight of 234.68 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
PubChem CID169323749
Molecular FormulaC10H15ClO4
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)CCl
InChIInChI=1S/C10H15ClO4/c1-7(2)9(12)14-4-5-15-10(13)8(3)6-11/h8H,1,4-6H2,2-3H3
InChIKeyXNDJLUWWKJXALE-UHFFFAOYSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
2-carbonochloridoyloxyethyl 3-chloro-2-methylpropanoate
CID 13245070
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
CID 102275209
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982
[4-amino-3-(chloromethyl)-4-oxobutyl] 2-methylprop-2-enoate
CID 86736886
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate (CID 169323749) is 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate is C=C(C)C(=O)OCCOC(=O)C(C)CCl.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate?
The InChIKey is XNDJLUWWKJXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO4/c1-7(2)9(12)14-4-5-15-10(13)8(3)6-11/h8H,1,4-6H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate?
2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate has a molecular weight of 234.68 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate is sourced from PubChem (CID 169323749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).