3-(dichloromethyl)-2,2-dimethyloxane

C8H14Cl2O — CID 14027502

IUPAC3-(dichloromethyl)-2,2-dimethyloxane
SMILESCC1(C)OCCCC1C(Cl)Cl
InChIInChI=1S/C8H14Cl2O/c1-8(2)6(7(9)10)4-3-5-11-8/h6-7H,3-5H2,1-2H3
InChIKeyGJVWJGOOLCDKTD-UHFFFAOYSA-N
MW197.10 g/mol
LogP3.00
Rot. Bonds1

About 3-(dichloromethyl)-2,2-dimethyloxane

3-(dichloromethyl)-2,2-dimethyloxane (PubChem CID 14027502) has the molecular formula C8H14Cl2O and a molecular weight of 197.10 g/mol. Its IUPAC name is 3-(dichloromethyl)-2,2-dimethyloxane.

Molecular Properties

Compound Name3-(dichloromethyl)-2,2-dimethyloxane
PubChem CID14027502
Molecular FormulaC8H14Cl2O
Molecular Weight197.10 g/mol
Exact Mass196.04
IUPAC Name3-(dichloromethyl)-2,2-dimethyloxane
SMILESCC1(C)OCCCC1C(Cl)Cl
InChIInChI=1S/C8H14Cl2O/c1-8(2)6(7(9)10)4-3-5-11-8/h6-7H,3-5H2,1-2H3
InChIKeyGJVWJGOOLCDKTD-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 53.00
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-(dichloromethyl)-2,2-dimethyloxane?
The IUPAC name of 3-(dichloromethyl)-2,2-dimethyloxane (CID 14027502) is 3-(dichloromethyl)-2,2-dimethyloxane.
What is the SMILES notation for 3-(dichloromethyl)-2,2-dimethyloxane?
The canonical SMILES for 3-(dichloromethyl)-2,2-dimethyloxane is CC1(C)OCCCC1C(Cl)Cl.
What is the InChIKey of 3-(dichloromethyl)-2,2-dimethyloxane?
The InChIKey is GJVWJGOOLCDKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O/c1-8(2)6(7(9)10)4-3-5-11-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(dichloromethyl)-2,2-dimethyloxane?
3-(dichloromethyl)-2,2-dimethyloxane has a molecular weight of 197.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethyl)-2,2-dimethyloxane is sourced from PubChem (CID 14027502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).