3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane

C16H22Cl2O — CID 65157637

IUPAC3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCc1cc(C(Cl)C2C(C)OC(C)C2C)c(C)cc1Cl
InChIInChI=1S/C16H22Cl2O/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15-16H,1-5H3
InChIKeyJVCQCOFQOBMAEE-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.30
Rot. Bonds2

About 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane

3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane (PubChem CID 65157637) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane
PubChem CID65157637
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCc1cc(C(Cl)C2C(C)OC(C)C2C)c(C)cc1Cl
InChIInChI=1S/C16H22Cl2O/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15-16H,1-5H3
InChIKeyJVCQCOFQOBMAEE-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.30
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 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane?
The IUPAC name of 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane (CID 65157637) is 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane?
The canonical SMILES for 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane is Cc1cc(C(Cl)C2C(C)OC(C)C2C)c(C)cc1Cl.
What is the InChIKey of 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane?
The InChIKey is JVCQCOFQOBMAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-8-7-14(17)9(2)6-13(8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15-16H,1-5H3.
What are the key properties of 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane?
3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane has a molecular weight of 301.26 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane is sourced from PubChem (CID 65157637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).