3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane

C10H19ClO — CID 114623938

IUPAC3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(CCCl)C(C)(C)O1
InChIInChI=1S/C10H19ClO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h8H,5-7H2,1-4H3
InChIKeyXXOQBGLRBMIFPX-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.21
Rot. Bonds2

About 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane

3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane (PubChem CID 114623938) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane.

Molecular Properties

Compound Name3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane
PubChem CID114623938
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(CCCl)C(C)(C)O1
InChIInChI=1S/C10H19ClO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h8H,5-7H2,1-4H3
InChIKeyXXOQBGLRBMIFPX-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.21
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

3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114624185
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
CID 114622277
N-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-amine
CID 79926980
N-(2-cyclopropylethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927409
(7S)-7-hydroxy-2-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazine-3,4-dione
CID 167808376
3-(3-chlorobutan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114623946
2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
CID 114621271
(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate
CID 138030110
2,2,5,5-tetramethyloxolane-3-carbaldehyde
CID 79934388
3,3,5,5-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114622197
2,2,5,5-tetramethyl-N-(2,2,3-trimethylbutyl)oxolan-3-amine
CID 102613662

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane?
The IUPAC name of 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane (CID 114623938) is 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane.
What is the SMILES notation for 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane?
The canonical SMILES for 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane is CC1(C)CC(CCCl)C(C)(C)O1.
What is the InChIKey of 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane?
The InChIKey is XXOQBGLRBMIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h8H,5-7H2,1-4H3.
What are the key properties of 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane?
3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane has a molecular weight of 190.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-2,2,5,5-tetramethyloxolane is sourced from PubChem (CID 114623938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).