2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate

C14H20Cl2O7 — CID 54570646

IUPAC2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
SMILESO=C(C=CCl)OCCOCCOCCOCCOC(=O)C=CCl
InChIInChI=1S/C14H20Cl2O7/c15-3-1-13(17)22-11-9-20-7-5-19-6-8-21-10-12-23-14(18)2-4-16/h1-4H,5-12H2
InChIKeyZWZVIEXXDQIXFU-UHFFFAOYSA-N
MW371.21 g/mol
LogP1.63
Rot. Bonds14

About 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate

2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate (PubChem CID 54570646) has the molecular formula C14H20Cl2O7 and a molecular weight of 371.21 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
PubChem CID54570646
Molecular FormulaC14H20Cl2O7
Molecular Weight371.21 g/mol
Exact Mass370.06
IUPAC Name2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
SMILESO=C(C=CCl)OCCOCCOCCOCCOC(=O)C=CCl
InChIInChI=1S/C14H20Cl2O7/c15-3-1-13(17)22-11-9-20-7-5-19-6-8-21-10-12-23-14(18)2-4-16/h1-4H,5-12H2
InChIKeyZWZVIEXXDQIXFU-UHFFFAOYSA-N
XLogP1.63
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
4-O-[2-[2-(4-butoxy-4-oxobut-2-enoyl)oxyethoxy]ethyl] 1-O-butyl but-2-enedioate
CID 54354439
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
CID 146427567
bis(2-octadecoxyethyl) (E)-but-2-enedioate
CID 175154746
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 57356593
1-O-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] 4-O-[(methylideneamino)methyl] (E)-but-2-enedioate
CID 163700364
4-(2-decoxyethoxy)-4-oxobut-2-enoic acid
CID 154239717
(Z)-4-(2-octadecoxyethoxy)-4-oxobut-2-enoic acid
CID 139634873

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate (CID 54570646) is 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate is O=C(C=CCl)OCCOCCOCCOCCOC(=O)C=CCl.
What is the InChIKey of 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate?
The InChIKey is ZWZVIEXXDQIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O7/c15-3-1-13(17)22-11-9-20-7-5-19-6-8-21-10-12-23-14(18)2-4-16/h1-4H,5-12H2.
What are the key properties of 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate?
2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate has a molecular weight of 371.21 g/mol, XLogP of 1.63, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate is sourced from PubChem (CID 54570646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).