(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane

C8H12Cl2O3 — CID 164886387

IUPAC(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CO/C(Cl)=C/Cl)O1
InChIInChI=1S/C8H12Cl2O3/c1-8(2)12-5-6(13-8)4-11-7(10)3-9/h3,6H,4-5H2,1-2H3/b7-3+/t6-/m1/s1
InChIKeyJUYLXTUIUDHQPL-BTJAISLDSA-N
MW227.09 g/mol
LogP2.43
Rot. Bonds3

About (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 164886387) has the molecular formula C8H12Cl2O3 and a molecular weight of 227.09 g/mol. Its IUPAC name is (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID164886387
Molecular FormulaC8H12Cl2O3
Molecular Weight227.09 g/mol
Exact Mass226.02
IUPAC Name(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CO/C(Cl)=C/Cl)O1
InChIInChI=1S/C8H12Cl2O3/c1-8(2)12-5-6(13-8)4-11-7(10)3-9/h3,6H,4-5H2,1-2H3/b7-3+/t6-/m1/s1
InChIKeyJUYLXTUIUDHQPL-BTJAISLDSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane (CID 164886387) is (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CO/C(Cl)=C/Cl)O1.
What is the InChIKey of (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is JUYLXTUIUDHQPL-BTJAISLDSA-N. The full InChI is InChI=1S/C8H12Cl2O3/c1-8(2)12-5-6(13-8)4-11-7(10)3-9/h3,6H,4-5H2,1-2H3/b7-3+/t6-/m1/s1.
What are the key properties of (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 227.09 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(Z)-1,2-dichloroethenoxy]methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 164886387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).