2-methyl-2-methylsulfanyl-oxacyclotetradecane

C15H30OS — CID 11118757

IUPAC2-methyl-2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1(C)CCCCCCCCCCCCO1
InChIInChI=1S/C15H30OS/c1-15(17-2)13-11-9-7-5-3-4-6-8-10-12-14-16-15/h3-14H2,1-2H3
InChIKeyQPKHUBHDJGDXTO-UHFFFAOYSA-N
MW258.47 g/mol
LogP5.39
Rot. Bonds1

About 2-methyl-2-methylsulfanyl-oxacyclotetradecane

2-methyl-2-methylsulfanyl-oxacyclotetradecane (PubChem CID 11118757) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-oxacyclotetradecane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-oxacyclotetradecane
PubChem CID11118757
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name2-methyl-2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1(C)CCCCCCCCCCCCO1
InChIInChI=1S/C15H30OS/c1-15(17-2)13-11-9-7-5-3-4-6-8-10-12-14-16-15/h3-14H2,1-2H3
InChIKeyQPKHUBHDJGDXTO-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylsulfanylmethoxy)decane
CID 23148857
1-Oxa-4-thiaspiro[4.11]hexadecane
CID 11345528
1-Ethoxy-1-methylsulfanyltridecane
CID 13433558
2-Methyl-2-methylsulfanyloxepane
CID 14681292
2-Butyl-2-methylsulfanyloxocane
CID 14681300
2-Methylsulfanyl-oxacyclotetradecane
CID 15424833
2,14-Dimethyl-2-methylsulfanyl-oxacyclotetradecane
CID 15424836
1-Ethylsulfanyl-1-methoxydecane
CID 23651751
2-Methyl-2-octyl-1,3-oxathiane
CID 85699790
O-nonyl butylsulfanylmethanethioate
CID 102149031
2-Methyl-2-methylsulfanyl-oxacyclooctadecane
CID 134871833
2-Ethoxynonane-2-thiolate
CID 134893047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-oxacyclotetradecane?
The IUPAC name of 2-methyl-2-methylsulfanyl-oxacyclotetradecane (CID 11118757) is 2-methyl-2-methylsulfanyl-oxacyclotetradecane.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-oxacyclotetradecane?
The canonical SMILES for 2-methyl-2-methylsulfanyl-oxacyclotetradecane is CSC1(C)CCCCCCCCCCCCO1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-oxacyclotetradecane?
The InChIKey is QPKHUBHDJGDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OS/c1-15(17-2)13-11-9-7-5-3-4-6-8-10-12-14-16-15/h3-14H2,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanyl-oxacyclotetradecane?
2-methyl-2-methylsulfanyl-oxacyclotetradecane has a molecular weight of 258.47 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-oxacyclotetradecane is sourced from PubChem (CID 11118757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).