4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane

C7H13ClO2 — CID 130925842

IUPAC4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@@H](Cl)C1COC(C)(C)O1
InChIInChI=1S/C7H13ClO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4H2,1-3H3/t5-,6?/m1/s1
InChIKeyPPLWORHFXLPMAR-LWOQYNTDSA-N
MW164.63 g/mol
LogP1.77
Rot. Bonds1

About 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane

4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 130925842) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID130925842
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@@H](Cl)C1COC(C)(C)O1
InChIInChI=1S/C7H13ClO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4H2,1-3H3/t5-,6?/m1/s1
InChIKeyPPLWORHFXLPMAR-LWOQYNTDSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.77
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

(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(1R)-2,2,2-trichloro-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 59052003
methyl (2S,3R)-2-chloro-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 158040346
1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanesulfonic acid
CID 87931342
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(2S,4S)-1,5-dichloro-2,4-bis(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-3-one
CID 174619022
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 14061487

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane (CID 130925842) is 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane is C[C@@H](Cl)C1COC(C)(C)O1.
What is the InChIKey of 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is PPLWORHFXLPMAR-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4H2,1-3H3/t5-,6?/m1/s1.
What are the key properties of 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane?
4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 164.63 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 130925842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).