2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane

C16H32OS — CID 15424836

IUPAC2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1(C)CCCCCCCCCCCC(C)O1
InChIInChI=1S/C16H32OS/c1-15-13-11-9-7-5-4-6-8-10-12-14-16(2,17-15)18-3/h15H,4-14H2,1-3H3
InChIKeyINDJZQVSJDIGBA-UHFFFAOYSA-N
MW272.50 g/mol
LogP5.78
Rot. Bonds1

About 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane

2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane (PubChem CID 15424836) has the molecular formula C16H32OS and a molecular weight of 272.50 g/mol. Its IUPAC name is 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane.

Molecular Properties

Compound Name2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane
PubChem CID15424836
Molecular FormulaC16H32OS
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1(C)CCCCCCCCCCCC(C)O1
InChIInChI=1S/C16H32OS/c1-15-13-11-9-7-5-4-6-8-10-12-14-16(2,17-15)18-3/h15H,4-14H2,1-3H3
InChIKeyINDJZQVSJDIGBA-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

15-Fluoro-1-(3-methylsulfanylbutoxy)hexadecane
CID 126585896
2-Methyl-2-methylsulfanyl-oxacyclotetradecane
CID 11118757
1-Ethoxy-1-methylsulfanyltridecane
CID 13433558
2-Butyl-2-methylsulfanyloxocane
CID 14681300
2-Methylsulfanyl-oxacyclotetradecane
CID 15424833
2-Methyl-2-methylsulfanyl-oxacyclooctadecane
CID 134871833
13-Hexyl-oxacyclotridecane-2-thione
CID 134872185
15-Hexyl-oxacyclopentadecane-2-thione
CID 134872186
3-Methoxy-8-(methylthio)decane
CID 552620
O-octyl octylsulfanylmethanethioate
CID 5142489
2-(4-Methylsulfanylbutyl)oxolane
CID 12961729
Iodo-dimethyl-[5-(oxan-2-yl)pentyl]-lambda4-sulfane
CID 13608280

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane?
The IUPAC name of 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane (CID 15424836) is 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane.
What is the SMILES notation for 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane?
The canonical SMILES for 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane is CSC1(C)CCCCCCCCCCCC(C)O1.
What is the InChIKey of 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane?
The InChIKey is INDJZQVSJDIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OS/c1-15-13-11-9-7-5-4-6-8-10-12-14-16(2,17-15)18-3/h15H,4-14H2,1-3H3.
What are the key properties of 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane?
2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane has a molecular weight of 272.50 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethyl-2-methylsulfanyl-oxacyclotetradecane is sourced from PubChem (CID 15424836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).