5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane

C16H21Cl3O — CID 116525324

IUPAC5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CCl)(CCl)c2ccccc2Cl)O1
InChIInChI=1S/C16H21Cl3O/c1-15(2)8-7-12(20-15)9-16(10-17,11-18)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3
InChIKeyWCNMRGKAZAZVPF-UHFFFAOYSA-N
MW335.70 g/mol
LogP5.40
Rot. Bonds5

About 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane

5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane (PubChem CID 116525324) has the molecular formula C16H21Cl3O and a molecular weight of 335.70 g/mol. Its IUPAC name is 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
PubChem CID116525324
Molecular FormulaC16H21Cl3O
Molecular Weight335.70 g/mol
Exact Mass334.07
IUPAC Name5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CCl)(CCl)c2ccccc2Cl)O1
InChIInChI=1S/C16H21Cl3O/c1-15(2)8-7-12(20-15)9-16(10-17,11-18)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3
InChIKeyWCNMRGKAZAZVPF-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.70
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]propane-1,3-diol
CID 116525300
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
CID 116525315
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
CID 116525293
5-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525349
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 116525302
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 116521173
1-chloro-2-[1-chloro-2-(chloromethyl)-5,5-dimethylhexan-2-yl]benzene
CID 79453577
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931445
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
5-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-2,2-dimethyloxolane
CID 116525338
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane (CID 116525324) is 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane is CC1(C)CCC(CC(CCl)(CCl)c2ccccc2Cl)O1.
What is the InChIKey of 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane?
The InChIKey is WCNMRGKAZAZVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3O/c1-15(2)8-7-12(20-15)9-16(10-17,11-18)13-5-3-4-6-14(13)19/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane?
5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane has a molecular weight of 335.70 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).