3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane

C11H21ClO — CID 107893311

IUPAC3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
SMILESCCCC(C)C1(CCl)CCOC1C
InChIInChI=1S/C11H21ClO/c1-4-5-9(2)11(8-12)6-7-13-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyUFCKURAXSUNRAW-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.46
Rot. Bonds4

About 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane

3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane (PubChem CID 107893311) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
PubChem CID107893311
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
SMILESCCCC(C)C1(CCl)CCOC1C
InChIInChI=1S/C11H21ClO/c1-4-5-9(2)11(8-12)6-7-13-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyUFCKURAXSUNRAW-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.46
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-(chloromethyl)-2-methyl-3-pentan-2-yloxolane?
The IUPAC name of 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane (CID 107893311) is 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane?
The canonical SMILES for 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane is CCCC(C)C1(CCl)CCOC1C.
What is the InChIKey of 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane?
The InChIKey is UFCKURAXSUNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-4-5-9(2)11(8-12)6-7-13-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane?
3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane has a molecular weight of 204.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane is sourced from PubChem (CID 107893311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).