2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane

C11H21BrOS — CID 106493696

IUPAC2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
SMILESCCCC(CBr)CSCC1CCCO1
InChIInChI=1S/C11H21BrOS/c1-2-4-10(7-12)8-14-9-11-5-3-6-13-11/h10-11H,2-9H2,1H3
InChIKeyIHTADTMXTLDDLD-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.71
Rot. Bonds7

About 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane

2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane (PubChem CID 106493696) has the molecular formula C11H21BrOS and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
PubChem CID106493696
Molecular FormulaC11H21BrOS
Molecular Weight281.26 g/mol
Exact Mass280.05
IUPAC Name2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
SMILESCCCC(CBr)CSCC1CCCO1
InChIInChI=1S/C11H21BrOS/c1-2-4-10(7-12)8-14-9-11-5-3-6-13-11/h10-11H,2-9H2,1H3
InChIKeyIHTADTMXTLDDLD-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.71
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-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
CID 106493730
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
3-(oxolan-2-ylmethylsulfanyl)heptan-4-amine
CID 106496756
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane?
The IUPAC name of 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane (CID 106493696) is 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane is CCCC(CBr)CSCC1CCCO1.
What is the InChIKey of 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane?
The InChIKey is IHTADTMXTLDDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrOS/c1-2-4-10(7-12)8-14-9-11-5-3-6-13-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane?
2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane has a molecular weight of 281.26 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).