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

C11H19BrOS — CID 106493688

IUPAC2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CCC1
InChIInChI=1S/C11H19BrOS/c12-8-11(4-2-5-11)9-14-7-10-3-1-6-13-10/h10H,1-9H2
InChIKeyZDKNUZHXDLBPGJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.46
Rot. Bonds5

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

2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane (PubChem CID 106493688) has the molecular formula C11H19BrOS and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
PubChem CID106493688
Molecular FormulaC11H19BrOS
Molecular Weight279.24 g/mol
Exact Mass278.03
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CCC1
InChIInChI=1S/C11H19BrOS/c12-8-11(4-2-5-11)9-14-7-10-3-1-6-13-10/h10H,1-9H2
InChIKeyZDKNUZHXDLBPGJ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.46
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)cyclobutyl]methylsulfanyl]oxane
CID 65007802
4-(Bromomethyl)-4-(oxolan-2-ylmethylsulfanylmethyl)oxane
CID 106493689
2-[2-(Bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-[[2-(Bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]oxolane
CID 106493702
2-[2-(Bromomethyl)butylsulfanylmethyl]oxolane
CID 106493706
2-[[2-(Bromomethyl)-2-propylpentyl]sulfanylmethyl]oxolane
CID 106493707
2-[[1-(Bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
CID 106493713
2-[(3-Bromo-2,2-dimethylpropyl)sulfanylmethyl]oxolane
CID 106493714
2-[[2-(Bromomethyl)-2-ethylbutyl]sulfanylmethyl]oxolane
CID 106493715
2-[[1-(Bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane
CID 106493718
2-[[1-(Bromomethyl)cyclobutyl]methylsulfonylmethyl]oxolane
CID 106493738
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol
CID 106497646

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane (CID 106493688) is 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane is BrCC1(CSCC2CCCO2)CCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane?
The InChIKey is ZDKNUZHXDLBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrOS/c12-8-11(4-2-5-11)9-14-7-10-3-1-6-13-10/h10H,1-9H2.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane?
2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane has a molecular weight of 279.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).