bis(2-chloropropyl) 2-methylidenebutanedioate

C11H16Cl2O4 — CID 156907924

IUPACbis(2-chloropropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC(C)Cl)C(=O)OCC(C)Cl
InChIInChI=1S/C11H16Cl2O4/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9H,1,4-6H2,2-3H3
InChIKeyYRMNXMWHRRMFFC-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.27
Rot. Bonds7

About bis(2-chloropropyl) 2-methylidenebutanedioate

bis(2-chloropropyl) 2-methylidenebutanedioate (PubChem CID 156907924) has the molecular formula C11H16Cl2O4 and a molecular weight of 283.15 g/mol. Its IUPAC name is bis(2-chloropropyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(2-chloropropyl) 2-methylidenebutanedioate
PubChem CID156907924
Molecular FormulaC11H16Cl2O4
Molecular Weight283.15 g/mol
Exact Mass282.04
IUPAC Namebis(2-chloropropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC(C)Cl)C(=O)OCC(C)Cl
InChIInChI=1S/C11H16Cl2O4/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9H,1,4-6H2,2-3H3
InChIKeyYRMNXMWHRRMFFC-UHFFFAOYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibutyl itaconate
CID 75080
Dipropyl 2-methylidenebutanedioate
CID 241085
Bis(2-chloroethyl) 2-methylidenebutanedioate
CID 241088
Succinic acid, 2,2-dichloroethyl 3-methylbut-3-en-1-yl ester
CID 91694545
4-O-butyl 1-O-methyl 2-methylidenebutanedioate
CID 18618562
4-O-butyl 1-O-ethyl 2-methylidenebutanedioate
CID 18618589
Bis(2-methylprop-2-enyl) 2-methylidenebutanedioate
CID 20288892
3-(2-Chloroethoxycarbonyl)but-3-enoic acid
CID 20435841
3-(1-Chloroethoxycarbonyl)but-3-enoic acid
CID 20461077
Bis(3-methylbut-3-enyl) 2-methylidenebutanedioate
CID 21304217
1-O-ethyl 4-O-propyl 2-methylidenebutanedioate
CID 22311504
1-O-butyl 4-O-ethyl 2-methylidenebutanedioate
CID 57801979

Frequently Asked Questions

What is the IUPAC name of bis(2-chloropropyl) 2-methylidenebutanedioate?
The IUPAC name of bis(2-chloropropyl) 2-methylidenebutanedioate (CID 156907924) is bis(2-chloropropyl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(2-chloropropyl) 2-methylidenebutanedioate?
The canonical SMILES for bis(2-chloropropyl) 2-methylidenebutanedioate is C=C(CC(=O)OCC(C)Cl)C(=O)OCC(C)Cl.
What is the InChIKey of bis(2-chloropropyl) 2-methylidenebutanedioate?
The InChIKey is YRMNXMWHRRMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2O4/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9H,1,4-6H2,2-3H3.
What are the key properties of bis(2-chloropropyl) 2-methylidenebutanedioate?
bis(2-chloropropyl) 2-methylidenebutanedioate has a molecular weight of 283.15 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloropropyl) 2-methylidenebutanedioate is sourced from PubChem (CID 156907924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).