[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride

C16H31ClO3S — CID 65007085

IUPAC[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESCCCCC(CC)COCC1(CS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C16H31ClO3S/c1-3-5-9-15(4-2)12-20-13-16(14-21(17,18)19)10-7-6-8-11-16/h15H,3-14H2,1-2H3
InChIKeyIRZDOPDMEHZJKG-UHFFFAOYSA-N
MW338.94 g/mol
LogP4.74
Rot. Bonds10

About [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride

[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride (PubChem CID 65007085) has the molecular formula C16H31ClO3S and a molecular weight of 338.94 g/mol. Its IUPAC name is [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
PubChem CID65007085
Molecular FormulaC16H31ClO3S
Molecular Weight338.94 g/mol
Exact Mass338.17
IUPAC Name[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESCCCCC(CC)COCC1(CS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C16H31ClO3S/c1-3-5-9-15(4-2)12-20-13-16(14-21(17,18)19)10-7-6-8-11-16/h15H,3-14H2,1-2H3
InChIKeyIRZDOPDMEHZJKG-UHFFFAOYSA-N
XLogP4.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane
CID 139998932
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride (CID 65007085) is [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride is CCCCC(CC)COCC1(CS(=O)(=O)Cl)CCCCC1.
What is the InChIKey of [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride?
The InChIKey is IRZDOPDMEHZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClO3S/c1-3-5-9-15(4-2)12-20-13-16(14-21(17,18)19)10-7-6-8-11-16/h15H,3-14H2,1-2H3.
What are the key properties of [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride?
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride has a molecular weight of 338.94 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 65007085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).