[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride

C16H29ClO3S — CID 65010236

IUPAC[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
SMILESCC1CCC(OCC2(CS(=O)(=O)Cl)CCCCCC2)CC1
InChIInChI=1S/C16H29ClO3S/c1-14-6-8-15(9-7-14)20-12-16(13-21(17,18)19)10-4-2-3-5-11-16/h14-15H,2-13H2,1H3
InChIKeyYJBFHMATQYELJV-UHFFFAOYSA-N
MW336.93 g/mol
LogP4.49
Rot. Bonds5

About [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride

[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride (PubChem CID 65010236) has the molecular formula C16H29ClO3S and a molecular weight of 336.93 g/mol. Its IUPAC name is [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
PubChem CID65010236
Molecular FormulaC16H29ClO3S
Molecular Weight336.93 g/mol
Exact Mass336.15
IUPAC Name[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
SMILESCC1CCC(OCC2(CS(=O)(=O)Cl)CCCCCC2)CC1
InChIInChI=1S/C16H29ClO3S/c1-14-6-8-15(9-7-14)20-12-16(13-21(17,18)19)10-4-2-3-5-11-16/h14-15H,2-13H2,1H3
InChIKeyYJBFHMATQYELJV-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65005951
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride (CID 65010236) is [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride is CC1CCC(OCC2(CS(=O)(=O)Cl)CCCCCC2)CC1.
What is the InChIKey of [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride?
The InChIKey is YJBFHMATQYELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClO3S/c1-14-6-8-15(9-7-14)20-12-16(13-21(17,18)19)10-4-2-3-5-11-16/h14-15H,2-13H2,1H3.
What are the key properties of [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride?
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride has a molecular weight of 336.93 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride is sourced from PubChem (CID 65010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).