(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane

C7H12Cl2O — CID 642406

IUPAC(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@@H](CC(Cl)Cl)C1
InChIInChI=1S/C7H12Cl2O/c1-5-2-6(10-4-5)3-7(8)9/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyISZDPKLBSCLQAM-NTSWFWBYSA-N
MW183.08 g/mol
LogP2.61
Rot. Bonds2

About (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane

(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane (PubChem CID 642406) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane
PubChem CID642406
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@@H](CC(Cl)Cl)C1
InChIInChI=1S/C7H12Cl2O/c1-5-2-6(10-4-5)3-7(8)9/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyISZDPKLBSCLQAM-NTSWFWBYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane?
The IUPAC name of (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane (CID 642406) is (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane.
What is the SMILES notation for (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane?
The canonical SMILES for (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane is C[C@@H]1CO[C@@H](CC(Cl)Cl)C1.
What is the InChIKey of (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane?
The InChIKey is ISZDPKLBSCLQAM-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-5-2-6(10-4-5)3-7(8)9/h5-7H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane?
(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane has a molecular weight of 183.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane is sourced from PubChem (CID 642406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).