2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane

C11H21BrOS — CID 106493716

IUPAC2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
SMILESCC(C)C(CBr)CSCC1CCCO1
InChIInChI=1S/C11H21BrOS/c1-9(2)10(6-12)7-14-8-11-4-3-5-13-11/h9-11H,3-8H2,1-2H3
InChIKeyHRPZKCSQYOSDGG-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.57
Rot. Bonds6

About 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane

2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane (PubChem CID 106493716) has the molecular formula C11H21BrOS and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
PubChem CID106493716
Molecular FormulaC11H21BrOS
Molecular Weight281.26 g/mol
Exact Mass280.05
IUPAC Name2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
SMILESCC(C)C(CBr)CSCC1CCCO1
InChIInChI=1S/C11H21BrOS/c1-9(2)10(6-12)7-14-8-11-4-3-5-13-11/h9-11H,3-8H2,1-2H3
InChIKeyHRPZKCSQYOSDGG-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.57
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-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
2-[[2-(bromomethyl)-3-methylbutoxy]methyl]oxane
CID 65012227
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
2-(ethenylsulfanylmethyl)oxolane
CID 19076165

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane?
The IUPAC name of 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane (CID 106493716) is 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane.
What is the SMILES notation for 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane?
The canonical SMILES for 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane is CC(C)C(CBr)CSCC1CCCO1.
What is the InChIKey of 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane?
The InChIKey is HRPZKCSQYOSDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrOS/c1-9(2)10(6-12)7-14-8-11-4-3-5-13-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane?
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane has a molecular weight of 281.26 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane is sourced from PubChem (CID 106493716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).