4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol

C17H34OS — CID 91042139

IUPAC4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol
SMILESCCSC(C)C1(C)CCCCCCCC(C)(O)CC1
InChIInChI=1S/C17H34OS/c1-5-19-15(2)16(3)11-9-7-6-8-10-12-17(4,18)14-13-16/h15,18H,5-14H2,1-4H3
InChIKeyYNDDFXLITNDCHJ-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.41
Rot. Bonds3

About 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol

4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol (PubChem CID 91042139) has the molecular formula C17H34OS and a molecular weight of 286.52 g/mol. Its IUPAC name is 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol.

Molecular Properties

Compound Name4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol
PubChem CID91042139
Molecular FormulaC17H34OS
Molecular Weight286.52 g/mol
Exact Mass286.23
IUPAC Name4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol
SMILESCCSC(C)C1(C)CCCCCCCC(C)(O)CC1
InChIInChI=1S/C17H34OS/c1-5-19-15(2)16(3)11-9-7-6-8-10-12-17(4,18)14-13-16/h15,18H,5-14H2,1-4H3
InChIKeyYNDDFXLITNDCHJ-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol?
The IUPAC name of 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol (CID 91042139) is 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol.
What is the SMILES notation for 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol?
The canonical SMILES for 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol is CCSC(C)C1(C)CCCCCCCC(C)(O)CC1.
What is the InChIKey of 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol?
The InChIKey is YNDDFXLITNDCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OS/c1-5-19-15(2)16(3)11-9-7-6-8-10-12-17(4,18)14-13-16/h15,18H,5-14H2,1-4H3.
What are the key properties of 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol?
4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol has a molecular weight of 286.52 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfanylethyl)-1,4-dimethylcycloundecan-1-ol is sourced from PubChem (CID 91042139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).