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

C9H17ClO — CID 162413818

IUPAC5-(chloromethyl)-2,2,3,3-tetramethyloxolane
SMILESCC1(C)CC(CCl)OC1(C)C
InChIInChI=1S/C9H17ClO/c1-8(2)5-7(6-10)11-9(8,3)4/h7H,5-6H2,1-4H3
InChIKeyCDCTXOKPWHZGEM-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.82
Rot. Bonds1

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

5-(chloromethyl)-2,2,3,3-tetramethyloxolane (PubChem CID 162413818) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 5-(chloromethyl)-2,2,3,3-tetramethyloxolane.

Molecular Properties

Compound Name5-(chloromethyl)-2,2,3,3-tetramethyloxolane
PubChem CID162413818
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name5-(chloromethyl)-2,2,3,3-tetramethyloxolane
SMILESCC1(C)CC(CCl)OC1(C)C
InChIInChI=1S/C9H17ClO/c1-8(2)5-7(6-10)11-9(8,3)4/h7H,5-6H2,1-4H3
InChIKeyCDCTXOKPWHZGEM-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.82
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 5-(chloromethyl)-2,2,3,3-tetramethyloxolane?
The IUPAC name of 5-(chloromethyl)-2,2,3,3-tetramethyloxolane (CID 162413818) is 5-(chloromethyl)-2,2,3,3-tetramethyloxolane.
What is the SMILES notation for 5-(chloromethyl)-2,2,3,3-tetramethyloxolane?
The canonical SMILES for 5-(chloromethyl)-2,2,3,3-tetramethyloxolane is CC1(C)CC(CCl)OC1(C)C.
What is the InChIKey of 5-(chloromethyl)-2,2,3,3-tetramethyloxolane?
The InChIKey is CDCTXOKPWHZGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-8(2)5-7(6-10)11-9(8,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 5-(chloromethyl)-2,2,3,3-tetramethyloxolane?
5-(chloromethyl)-2,2,3,3-tetramethyloxolane has a molecular weight of 176.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,2,3,3-tetramethyloxolane is sourced from PubChem (CID 162413818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).