(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane

C9H14Cl2O2 — CID 14238835

IUPAC(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](C=C(Cl)Cl)C(C)(C)O1
InChIInChI=1S/C9H14Cl2O2/c1-8(2)6(5-7(10)11)12-9(3,4)13-8/h5-6H,1-4H3/t6-/m0/s1
InChIKeyNURYFNBGENCXLT-LURJTMIESA-N
MW225.11 g/mol
LogP3.24
Rot. Bonds1

About (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane

(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane (PubChem CID 14238835) has the molecular formula C9H14Cl2O2 and a molecular weight of 225.11 g/mol. Its IUPAC name is (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane
PubChem CID14238835
Molecular FormulaC9H14Cl2O2
Molecular Weight225.11 g/mol
Exact Mass224.04
IUPAC Name(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](C=C(Cl)Cl)C(C)(C)O1
InChIInChI=1S/C9H14Cl2O2/c1-8(2)6(5-7(10)11)12-9(3,4)13-8/h5-6H,1-4H3/t6-/m0/s1
InChIKeyNURYFNBGENCXLT-LURJTMIESA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 137286752
(4S,5S)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 101890509
(4R,5R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 102029058

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane?
The IUPAC name of (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane (CID 14238835) is (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane.
What is the SMILES notation for (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane?
The canonical SMILES for (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane is CC1(C)O[C@@H](C=C(Cl)Cl)C(C)(C)O1.
What is the InChIKey of (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane?
The InChIKey is NURYFNBGENCXLT-LURJTMIESA-N. The full InChI is InChI=1S/C9H14Cl2O2/c1-8(2)6(5-7(10)11)12-9(3,4)13-8/h5-6H,1-4H3/t6-/m0/s1.
What are the key properties of (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane?
(5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane has a molecular weight of 225.11 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,2-dichloroethenyl)-2,2,4,4-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 14238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).