3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane

C11H22Br2O2S — CID 106734912

IUPAC3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane
SMILESCC(C)C(CBr)(CBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H22Br2O2S/c1-9(2)11(7-12,8-13)5-6-16(14,15)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyHYXDGPZLDWTICL-UHFFFAOYSA-N
MW378.17 g/mol
LogP3.63
Rot. Bonds7

About 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane

3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane (PubChem CID 106734912) has the molecular formula C11H22Br2O2S and a molecular weight of 378.17 g/mol. Its IUPAC name is 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane.

Molecular Properties

Compound Name3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane
PubChem CID106734912
Molecular FormulaC11H22Br2O2S
Molecular Weight378.17 g/mol
Exact Mass375.97
IUPAC Name3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane
SMILESCC(C)C(CBr)(CBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H22Br2O2S/c1-9(2)11(7-12,8-13)5-6-16(14,15)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyHYXDGPZLDWTICL-UHFFFAOYSA-N
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 53.63
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

3,3-bis(bromomethyl)-5-methyl-1-propan-2-ylsulfonylhexane
CID 106734906
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106731282
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
3,3-bis(chloromethyl)-1-ethylsulfonyl-4-methylpentane
CID 79446954
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
1-bromo-4-[1-chloro-2-(chloromethyl)-4-propan-2-ylsulfonylbutan-2-yl]benzene
CID 106734885
1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
CID 103985334
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
4,4-dimethyl-1-propan-2-ylsulfonylpentan-3-one
CID 167554026

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane?
The IUPAC name of 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane (CID 106734912) is 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane.
What is the SMILES notation for 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane?
The canonical SMILES for 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane is CC(C)C(CBr)(CBr)CCS(=O)(=O)C(C)C.
What is the InChIKey of 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane?
The InChIKey is HYXDGPZLDWTICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2O2S/c1-9(2)11(7-12,8-13)5-6-16(14,15)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane?
3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane has a molecular weight of 378.17 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane is sourced from PubChem (CID 106734912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).