2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane

C10H16Cl2O2 — CID 12529863

IUPAC2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane
SMILESClC(Cl)C1(C2CCCCC2)OCCO1
InChIInChI=1S/C10H16Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyOONXHYAICIQUIY-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.11
Rot. Bonds2

About 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane

2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane (PubChem CID 12529863) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane
PubChem CID12529863
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane
SMILESClC(Cl)C1(C2CCCCC2)OCCO1
InChIInChI=1S/C10H16Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyOONXHYAICIQUIY-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dicyclohexyl-1,3-dioxolane
CID 102096003
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
2-(chloromethyl)-2-cyclohexyloxane
CID 126987668
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
CID 174647360
CID 174647360
2-tert-butyl-2-cyclohexyloxolane
CID 177073539
2-(dichloromethyl)-1,3-dioxolan-2-ol
CID 86116885
[chloro(fluoro)methyl]cyclohexane
CID 134937924
(2-cyclohexyloxolan-2-yl)methanol
CID 130689922
cyclohexane;dichloromethylcyclohexane
CID 118430501
trichloro(cyclohexyl)phosphanium
CID 23415122

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane?
The IUPAC name of 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane (CID 12529863) is 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane is ClC(Cl)C1(C2CCCCC2)OCCO1.
What is the InChIKey of 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane?
The InChIKey is OONXHYAICIQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane?
2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane has a molecular weight of 239.14 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(dichloromethyl)-1,3-dioxolane is sourced from PubChem (CID 12529863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).