3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane

C10H13ClOS — CID 66033453

IUPAC3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
SMILESClCC1(Cc2cccs2)CCOC1
InChIInChI=1S/C10H13ClOS/c11-7-10(3-4-12-8-10)6-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKeyWWQIKXWGUWCBCS-UHFFFAOYSA-N
MW216.73 g/mol
LogP2.94
Rot. Bonds3

About 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane

3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane (PubChem CID 66033453) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
PubChem CID66033453
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
SMILESClCC1(Cc2cccs2)CCOC1
InChIInChI=1S/C10H13ClOS/c11-7-10(3-4-12-8-10)6-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKeyWWQIKXWGUWCBCS-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 52.94
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-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
3-thiophen-2-yloxolan-3-ol
CID 63331558
3-(chloromethyl)-3-[(2,5-difluorophenyl)methyl]oxolane
CID 66034129
3-[(4-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)oxolane
CID 114861921
3-(chloromethyl)-3-[(2,5-dimethylphenyl)methyl]oxolane
CID 66036150
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
4-benzyl-4-(chloromethyl)oxane
CID 66033304
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane?
The IUPAC name of 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane (CID 66033453) is 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane is ClCC1(Cc2cccs2)CCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane?
The InChIKey is WWQIKXWGUWCBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c11-7-10(3-4-12-8-10)6-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2.
What are the key properties of 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane?
3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane has a molecular weight of 216.73 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane is sourced from PubChem (CID 66033453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).