2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane

C12H21BrOS — CID 106493713

IUPAC2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CCCC1
InChIInChI=1S/C12H21BrOS/c13-9-12(5-1-2-6-12)10-15-8-11-4-3-7-14-11/h11H,1-10H2
InChIKeySAJCTXDOHQTCCG-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.85
Rot. Bonds5

About 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane

2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane (PubChem CID 106493713) has the molecular formula C12H21BrOS and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
PubChem CID106493713
Molecular FormulaC12H21BrOS
Molecular Weight293.27 g/mol
Exact Mass292.05
IUPAC Name2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CCCC1
InChIInChI=1S/C12H21BrOS/c13-9-12(5-1-2-6-12)10-15-8-11-4-3-7-14-11/h11H,1-10H2
InChIKeySAJCTXDOHQTCCG-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.85
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

4-[[1-(Bromomethyl)cyclopentyl]methylsulfanyl]oxane
CID 65000940
4-(Bromomethyl)-4-(cyclopentylmethylsulfanylmethyl)oxane
CID 65004442
2-[[1-(Bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
CID 106493688
4-(Bromomethyl)-4-(oxolan-2-ylmethylsulfanylmethyl)oxane
CID 106493689
2-[[1-(Bromomethyl)cycloheptyl]methylsulfanylmethyl]oxolane
CID 106493704
2-[[2-(Bromomethyl)-2-propylpentyl]sulfanylmethyl]oxolane
CID 106493707
2-[[1-(Bromomethyl)cyclohexyl]methylsulfanylmethyl]oxolane
CID 106493708
2-[[2-(Bromomethyl)-2-ethylbutyl]sulfanylmethyl]oxolane
CID 106493715
2-[[1-(Bromomethyl)cyclopentyl]methylsulfonylmethyl]oxolane
CID 106493742
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
CID 106497627
3-[[1-(Bromomethyl)cyclobutyl]methylsulfanyl]-2-methyloxolane
CID 107746811
3-[[1-(Bromomethyl)cyclohexyl]methylsulfanyl]-2-methyloxolane
CID 107746827

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane?
The IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane (CID 106493713) is 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane is BrCC1(CSCC2CCCO2)CCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane?
The InChIKey is SAJCTXDOHQTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrOS/c13-9-12(5-1-2-6-12)10-15-8-11-4-3-7-14-11/h11H,1-10H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane?
2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane has a molecular weight of 293.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).