chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate

C11H18Cl2O7 — CID 174813334

IUPACchloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
SMILESO=C(OCl)C(Cl)=COCCOCCOCCOCCO
InChIInChI=1S/C11H18Cl2O7/c12-10(11(15)20-13)9-19-8-7-18-6-5-17-4-3-16-2-1-14/h9,14H,1-8H2
InChIKeyYOSKHFYCNIHXOV-UHFFFAOYSA-N
MW333.16 g/mol
LogP0.82
Rot. Bonds13

About chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate

chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate (PubChem CID 174813334) has the molecular formula C11H18Cl2O7 and a molecular weight of 333.16 g/mol. Its IUPAC name is chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate.

Molecular Properties

Compound Namechloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
PubChem CID174813334
Molecular FormulaC11H18Cl2O7
Molecular Weight333.16 g/mol
Exact Mass332.04
IUPAC Namechloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
SMILESO=C(OCl)C(Cl)=COCCOCCOCCOCCO
InChIInChI=1S/C11H18Cl2O7/c12-10(11(15)20-13)9-19-8-7-18-6-5-17-4-3-16-2-1-14/h9,14H,1-8H2
InChIKeyYOSKHFYCNIHXOV-UHFFFAOYSA-N
XLogP0.82
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

chloro acetate;2-(2-hydroxyethoxy)ethanol
CID 170842530
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-[2-[2-[(Z)-2-[2-(2-hydroxyethoxy)ethoxy]ethenoxy]ethoxy]ethoxy]ethanol
CID 11987840
dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 123232921
dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
CID 123776236
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl hypochlorite
CID 174668360

Frequently Asked Questions

What is the IUPAC name of chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate?
The IUPAC name of chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate (CID 174813334) is chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate.
What is the SMILES notation for chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate?
The canonical SMILES for chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate is O=C(OCl)C(Cl)=COCCOCCOCCOCCO.
What is the InChIKey of chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate?
The InChIKey is YOSKHFYCNIHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2O7/c12-10(11(15)20-13)9-19-8-7-18-6-5-17-4-3-16-2-1-14/h9,14H,1-8H2.
What are the key properties of chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate?
chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate has a molecular weight of 333.16 g/mol, XLogP of 0.82, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-chloro-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate is sourced from PubChem (CID 174813334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).