2-chlorosulfonyloxy-4-methylpentane

C6H13ClO3S — CID 119097605

IUPAC2-chlorosulfonyloxy-4-methylpentane
SMILESCC(C)CC(C)OS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-5(2)4-6(3)10-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyLCVZKLFMGBZGGX-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.92
Rot. Bonds4

About 2-chlorosulfonyloxy-4-methylpentane

2-chlorosulfonyloxy-4-methylpentane (PubChem CID 119097605) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-chlorosulfonyloxy-4-methylpentane.

Molecular Properties

Compound Name2-chlorosulfonyloxy-4-methylpentane
PubChem CID119097605
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name2-chlorosulfonyloxy-4-methylpentane
SMILESCC(C)CC(C)OS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-5(2)4-6(3)10-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyLCVZKLFMGBZGGX-UHFFFAOYSA-N
XLogP1.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-methylpentan-2-yl) methanedisulfonate
CID 89483101
4-propan-2-ylsulfonyloxypentan-2-yl propane-2-sulfonate
CID 89439688
4-methylpentan-2-yloxysulfonylmethanesulfonic acid
CID 174682911
4-methylpentane-2-sulfonyl chloride
CID 54347504
4,6,8-trimethylnonan-2-yl hydrogen sulfate
CID 57244252
4-methylpentan-2-yl 4-methylbenzenesulfonate
CID 11021507
[(2S)-4-methylpentan-2-yl] 4-methylbenzenesulfonate
CID 126764418
methyl 3-methyl-1-silylbutane-1-sulfonate
CID 174876146
dimethyl-bis(4-methylpentan-2-yloxy)silane
CID 91733276
[(3R)-5-methylhex-1-yn-3-yl] methanesulfonate
CID 25228781
ethyl 2-chlorosulfonyloxypropanoate
CID 22404718
chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane
CID 124630587

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyloxy-4-methylpentane?
The IUPAC name of 2-chlorosulfonyloxy-4-methylpentane (CID 119097605) is 2-chlorosulfonyloxy-4-methylpentane.
What is the SMILES notation for 2-chlorosulfonyloxy-4-methylpentane?
The canonical SMILES for 2-chlorosulfonyloxy-4-methylpentane is CC(C)CC(C)OS(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonyloxy-4-methylpentane?
The InChIKey is LCVZKLFMGBZGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-5(2)4-6(3)10-11(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-chlorosulfonyloxy-4-methylpentane?
2-chlorosulfonyloxy-4-methylpentane has a molecular weight of 200.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyloxy-4-methylpentane is sourced from PubChem (CID 119097605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).