[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride

C15H29ClO3S — CID 103285988

IUPAC[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
SMILESCCCC(C)COCC1(CS(=O)(=O)Cl)CCCCCC1
InChIInChI=1S/C15H29ClO3S/c1-3-8-14(2)11-19-12-15(13-20(16,17)18)9-6-4-5-7-10-15/h14H,3-13H2,1-2H3
InChIKeyYBJZDIOVRUMZAL-UHFFFAOYSA-N
MW324.91 g/mol
LogP4.35
Rot. Bonds8

About [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride

[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride (PubChem CID 103285988) has the molecular formula C15H29ClO3S and a molecular weight of 324.91 g/mol. Its IUPAC name is [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
PubChem CID103285988
Molecular FormulaC15H29ClO3S
Molecular Weight324.91 g/mol
Exact Mass324.15
IUPAC Name[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
SMILESCCCC(C)COCC1(CS(=O)(=O)Cl)CCCCCC1
InChIInChI=1S/C15H29ClO3S/c1-3-8-14(2)11-19-12-15(13-20(16,17)18)9-6-4-5-7-10-15/h14H,3-13H2,1-2H3
InChIKeyYBJZDIOVRUMZAL-UHFFFAOYSA-N
XLogP4.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.91
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[4-(octan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004369
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004880
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
CID 103491018

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride?
The IUPAC name of [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride (CID 103285988) is [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride is CCCC(C)COCC1(CS(=O)(=O)Cl)CCCCCC1.
What is the InChIKey of [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride?
The InChIKey is YBJZDIOVRUMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClO3S/c1-3-8-14(2)11-19-12-15(13-20(16,17)18)9-6-4-5-7-10-15/h14H,3-13H2,1-2H3.
What are the key properties of [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride?
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride has a molecular weight of 324.91 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride is sourced from PubChem (CID 103285988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).