6,6-dimethylcycloundecane-1-sulfonyl chloride

C13H25ClO2S — CID 146618987

IUPAC6,6-dimethylcycloundecane-1-sulfonyl chloride
SMILESCC1(C)CCCCCC(S(=O)(=O)Cl)CCCC1
InChIInChI=1S/C13H25ClO2S/c1-13(2)10-6-3-4-8-12(17(14,15)16)9-5-7-11-13/h12H,3-11H2,1-2H3
InChIKeyXILZWNMYZQTCNE-UHFFFAOYSA-N
MW280.86 g/mol
LogP4.47
Rot. Bonds1

About 6,6-dimethylcycloundecane-1-sulfonyl chloride

6,6-dimethylcycloundecane-1-sulfonyl chloride (PubChem CID 146618987) has the molecular formula C13H25ClO2S and a molecular weight of 280.86 g/mol. Its IUPAC name is 6,6-dimethylcycloundecane-1-sulfonyl chloride.

Molecular Properties

Compound Name6,6-dimethylcycloundecane-1-sulfonyl chloride
PubChem CID146618987
Molecular FormulaC13H25ClO2S
Molecular Weight280.86 g/mol
Exact Mass280.13
IUPAC Name6,6-dimethylcycloundecane-1-sulfonyl chloride
SMILESCC1(C)CCCCCC(S(=O)(=O)Cl)CCCC1
InChIInChI=1S/C13H25ClO2S/c1-13(2)10-6-3-4-8-12(17(14,15)16)9-5-7-11-13/h12H,3-11H2,1-2H3
InChIKeyXILZWNMYZQTCNE-UHFFFAOYSA-N
XLogP4.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.86
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1-dimethylcyclononane
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1,1-dimethylcyclohexane;methane
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azane;1,1-dimethylcyclohexane
CID 90411117
spiro[2.5]octane-7-sulfonyl chloride
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1,1,5-trimethylcycloundecane
CID 161434950
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
4-methoxycycloheptane-1-sulfonyl chloride
CID 165446786
1,1,5,8-tetramethylcyclotetradecane
CID 143796202

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylcycloundecane-1-sulfonyl chloride?
The IUPAC name of 6,6-dimethylcycloundecane-1-sulfonyl chloride (CID 146618987) is 6,6-dimethylcycloundecane-1-sulfonyl chloride.
What is the SMILES notation for 6,6-dimethylcycloundecane-1-sulfonyl chloride?
The canonical SMILES for 6,6-dimethylcycloundecane-1-sulfonyl chloride is CC1(C)CCCCCC(S(=O)(=O)Cl)CCCC1.
What is the InChIKey of 6,6-dimethylcycloundecane-1-sulfonyl chloride?
The InChIKey is XILZWNMYZQTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2S/c1-13(2)10-6-3-4-8-12(17(14,15)16)9-5-7-11-13/h12H,3-11H2,1-2H3.
What are the key properties of 6,6-dimethylcycloundecane-1-sulfonyl chloride?
6,6-dimethylcycloundecane-1-sulfonyl chloride has a molecular weight of 280.86 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcycloundecane-1-sulfonyl chloride is sourced from PubChem (CID 146618987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).