[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride

C12H23ClO3S — CID 65010286

IUPAC[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
SMILESCC(C)OCC1(CS(=O)(=O)Cl)CCCCCC1
InChIInChI=1S/C12H23ClO3S/c1-11(2)16-9-12(10-17(13,14)15)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyVXOIDKJWYFQGEY-UHFFFAOYSA-N
MW282.83 g/mol
LogP3.32
Rot. Bonds5

About [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride

[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride (PubChem CID 65010286) has the molecular formula C12H23ClO3S and a molecular weight of 282.83 g/mol. Its IUPAC name is [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
PubChem CID65010286
Molecular FormulaC12H23ClO3S
Molecular Weight282.83 g/mol
Exact Mass282.11
IUPAC Name[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
SMILESCC(C)OCC1(CS(=O)(=O)Cl)CCCCCC1
InChIInChI=1S/C12H23ClO3S/c1-11(2)16-9-12(10-17(13,14)15)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyVXOIDKJWYFQGEY-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 165446225
1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004880
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002637

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride?
The IUPAC name of [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride (CID 65010286) is [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride?
The canonical SMILES for [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride is CC(C)OCC1(CS(=O)(=O)Cl)CCCCCC1.
What is the InChIKey of [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride?
The InChIKey is VXOIDKJWYFQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO3S/c1-11(2)16-9-12(10-17(13,14)15)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3.
What are the key properties of [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride?
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride has a molecular weight of 282.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride is sourced from PubChem (CID 65010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).