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

C16H22Cl2O — CID 116525315

IUPAC5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CCl)(CCl)c2ccccc2)O1
InChIInChI=1S/C16H22Cl2O/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyLCPGJACOJYRUMA-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.75
Rot. Bonds5

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

5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane (PubChem CID 116525315) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
PubChem CID116525315
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CCl)(CCl)c2ccccc2)O1
InChIInChI=1S/C16H22Cl2O/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyLCPGJACOJYRUMA-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
CID 116525293
5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525324
5-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-2,2-dimethyloxolane
CID 116525338
2-(2-chlorophenyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]propane-1,3-diol
CID 116525300
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
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
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
CID 116525259
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
CID 116525226

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane (CID 116525315) is 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane is CC1(C)CCC(CC(CCl)(CCl)c2ccccc2)O1.
What is the InChIKey of 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane?
The InChIKey is LCPGJACOJYRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-15(2)9-8-14(19-15)10-16(11-17,12-18)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane?
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane has a molecular weight of 301.26 g/mol, XLogP of 4.75, 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-phenylpropyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).