(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one

C8H10Cl2O2 — CID 102394962

IUPAC(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one
SMILESC/C(Cl)=C1/C(=O)OCC1CCCl
InChIInChI=1S/C8H10Cl2O2/c1-5(10)7-6(2-3-9)4-12-8(7)11/h6H,2-4H2,1H3/b7-5-
InChIKeyUIBBMXVZOKJJMG-ALCCZGGFSA-N
MW209.07 g/mol
LogP2.30
Rot. Bonds2

About (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one

(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one (PubChem CID 102394962) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one
PubChem CID102394962
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one
SMILESC/C(Cl)=C1/C(=O)OCC1CCCl
InChIInChI=1S/C8H10Cl2O2/c1-5(10)7-6(2-3-9)4-12-8(7)11/h6H,2-4H2,1H3/b7-5-
InChIKeyUIBBMXVZOKJJMG-ALCCZGGFSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(4Z)-4-(1-chloroethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 15811727
(3Z,4R)-3-(1-chloroethylidene)-4-(chloromethyl)oxolan-2-one
CID 102394958
(3E,4R)-3-(1-chloro-2-methoxyethylidene)-4-(chloromethyl)oxolan-2-one
CID 135055930
(3E,4R)-3-(1-chloroethylidene)-4-(chloromethyl)oxolan-2-one
CID 135060044
(3Z,4R)-3-(1-chloro-2-methoxyethylidene)-4-(chloromethyl)oxolan-2-one
CID 135060048
(3Z)-3-(1-chloro-2-methoxyethylidene)-4-(chloromethyl)oxolan-2-one
CID 154711919
(3E)-3-(1-chloroethylidene)-4-(chloromethyl)oxolan-2-one
CID 10330271
(3E)-4-(chloromethyl)-3-(1-chloropentylidene)oxolan-2-one
CID 10421645
(3Z)-4-(chloromethyl)-3-(1-chloropentylidene)oxolan-2-one
CID 10421646
(3E,4R,5R)-3-(1-chloroethylidene)-4-(chloromethyl)-5-propyloxolan-2-one
CID 10444151
(3Z)-3-(1-chloroethylidene)-4-(1-chloro-2-prop-2-enoxyethyl)oxolan-2-one
CID 10355474
(3Z)-3-(1-chloroethylidene)-4-(chloromethyl)oxolan-2-one
CID 10442638

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one?
The IUPAC name of (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one (CID 102394962) is (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one is C/C(Cl)=C1/C(=O)OCC1CCCl.
What is the InChIKey of (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one?
The InChIKey is UIBBMXVZOKJJMG-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c1-5(10)7-6(2-3-9)4-12-8(7)11/h6H,2-4H2,1H3/b7-5-.
What are the key properties of (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one?
(3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one has a molecular weight of 209.07 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(2-chloroethyl)-3-(1-chloroethylidene)oxolan-2-one is sourced from PubChem (CID 102394962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).