1-chloro-2-methyl-6-methylsulfonylhexane

C8H17ClO2S — CID 64666944

IUPAC1-chloro-2-methyl-6-methylsulfonylhexane
SMILESCC(CCl)CCCCS(C)(=O)=O
InChIInChI=1S/C8H17ClO2S/c1-8(7-9)5-3-4-6-12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyUHWBCJXAOUSYAU-UHFFFAOYSA-N
MW212.74 g/mol
LogP2.08
Rot. Bonds6

About 1-chloro-2-methyl-6-methylsulfonylhexane

1-chloro-2-methyl-6-methylsulfonylhexane (PubChem CID 64666944) has the molecular formula C8H17ClO2S and a molecular weight of 212.74 g/mol. Its IUPAC name is 1-chloro-2-methyl-6-methylsulfonylhexane.

Molecular Properties

Compound Name1-chloro-2-methyl-6-methylsulfonylhexane
PubChem CID64666944
Molecular FormulaC8H17ClO2S
Molecular Weight212.74 g/mol
Exact Mass212.06
IUPAC Name1-chloro-2-methyl-6-methylsulfonylhexane
SMILESCC(CCl)CCCCS(C)(=O)=O
InChIInChI=1S/C8H17ClO2S/c1-8(7-9)5-3-4-6-12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyUHWBCJXAOUSYAU-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.74
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833
1-chloro-2-(chloromethyl)-5-methylsulfonylpentane
CID 79447366
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
2-methyl-6-methylsulfonylhexanal
CID 64663891
1,8-dichloro-2-methyloctane
CID 154320293
1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907
4-(chloromethyl)-5,5-dimethyl-1-methylsulfonylhexane
CID 83138290
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N,4-dimethyl-7-methylsulfonylheptan-2-amine
CID 64721410
2-bromo-1-methoxy-6-methylsulfonylhexane
CID 63195962
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-6-methylsulfonylhexane?
The IUPAC name of 1-chloro-2-methyl-6-methylsulfonylhexane (CID 64666944) is 1-chloro-2-methyl-6-methylsulfonylhexane.
What is the SMILES notation for 1-chloro-2-methyl-6-methylsulfonylhexane?
The canonical SMILES for 1-chloro-2-methyl-6-methylsulfonylhexane is CC(CCl)CCCCS(C)(=O)=O.
What is the InChIKey of 1-chloro-2-methyl-6-methylsulfonylhexane?
The InChIKey is UHWBCJXAOUSYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2S/c1-8(7-9)5-3-4-6-12(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-6-methylsulfonylhexane?
1-chloro-2-methyl-6-methylsulfonylhexane has a molecular weight of 212.74 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-6-methylsulfonylhexane is sourced from PubChem (CID 64666944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).