2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane

C11H21BrO3S — CID 106493730

IUPAC2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
SMILESCCCC(CBr)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21BrO3S/c1-2-4-10(7-12)8-16(13,14)9-11-5-3-6-15-11/h10-11H,2-9H2,1H3
InChIKeyRCCNWMIYNSLDKQ-UHFFFAOYSA-N
MW313.26 g/mol
LogP2.39
Rot. Bonds7

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

2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane (PubChem CID 106493730) has the molecular formula C11H21BrO3S and a molecular weight of 313.26 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
PubChem CID106493730
Molecular FormulaC11H21BrO3S
Molecular Weight313.26 g/mol
Exact Mass312.04
IUPAC Name2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane
SMILESCCCC(CBr)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21BrO3S/c1-2-4-10(7-12)8-16(13,14)9-11-5-3-6-15-11/h10-11H,2-9H2,1H3
InChIKeyRCCNWMIYNSLDKQ-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
CID 106493743
2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
2-[(5-bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 107508896
(2R)-2-ethyloxolane
CID 641529
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039
azane;2-ethyloxolane
CID 174465001
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-ethyl-1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106495943
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane?
The IUPAC name of 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane (CID 106493730) is 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane.
What is the SMILES notation for 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane?
The canonical SMILES for 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane is CCCC(CBr)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane?
The InChIKey is RCCNWMIYNSLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO3S/c1-2-4-10(7-12)8-16(13,14)9-11-5-3-6-15-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane?
2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane has a molecular weight of 313.26 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pentylsulfonylmethyl]oxolane is sourced from PubChem (CID 106493730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).