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

C10H17BrOS — CID 106493718

IUPAC2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CC1
InChIInChI=1S/C10H17BrOS/c11-7-10(3-4-10)8-13-6-9-2-1-5-12-9/h9H,1-8H2
InChIKeyTVBQXYFKTABVLC-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.07
Rot. Bonds5

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

2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane (PubChem CID 106493718) has the molecular formula C10H17BrOS and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane
PubChem CID106493718
Molecular FormulaC10H17BrOS
Molecular Weight265.22 g/mol
Exact Mass264.02
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane
SMILESBrCC1(CSCC2CCCO2)CC1
InChIInChI=1S/C10H17BrOS/c11-7-10(3-4-10)8-13-6-9-2-1-5-12-9/h9H,1-8H2
InChIKeyTVBQXYFKTABVLC-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.07
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)cyclopropyl]methylsulfanyl]oxane
CID 65014170
3-Bromo-4-(2-propan-2-yloxyethyl)thiolane
CID 83190188
2-[[1-(Bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
CID 106493688
4-(Bromomethyl)-4-(oxolan-2-ylmethylsulfanylmethyl)oxane
CID 106493689
2-[(5-Bromo-3-methylpentyl)sulfanylmethyl]oxolane
CID 106493690
2-[(3-Bromo-2-methylpropyl)sulfanylmethyl]oxolane
CID 106493695
2-[2-(Bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-(5-Bromopentylsulfanylmethyl)oxolane
CID 106493701
2-[[2-(Bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]oxolane
CID 106493702
2-[2-(Bromomethyl)butylsulfanylmethyl]oxolane
CID 106493706
2-(3-Bromopropylsulfanylmethyl)oxolane
CID 106493711
2-(4-Bromobutylsulfanylmethyl)oxolane
CID 106493712

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane (CID 106493718) is 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane is BrCC1(CSCC2CCCO2)CC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane?
The InChIKey is TVBQXYFKTABVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrOS/c11-7-10(3-4-10)8-13-6-9-2-1-5-12-9/h9H,1-8H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane?
2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane has a molecular weight of 265.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).