2-methyl-2-methylsulfanyl-oxacyclooctadecane

C19H38OS — CID 134871833

IUPAC2-methyl-2-methylsulfanyl-oxacyclooctadecane
SMILESCSC1(C)CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C19H38OS/c1-19(21-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-19/h3-18H2,1-2H3
InChIKeyOPSHXQGWSVJULB-UHFFFAOYSA-N
MW314.58 g/mol
LogP6.95
Rot. Bonds1

About 2-methyl-2-methylsulfanyl-oxacyclooctadecane

2-methyl-2-methylsulfanyl-oxacyclooctadecane (PubChem CID 134871833) has the molecular formula C19H38OS and a molecular weight of 314.58 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-oxacyclooctadecane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-oxacyclooctadecane
PubChem CID134871833
Molecular FormulaC19H38OS
Molecular Weight314.58 g/mol
Exact Mass314.26
IUPAC Name2-methyl-2-methylsulfanyl-oxacyclooctadecane
SMILESCSC1(C)CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C19H38OS/c1-19(21-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-19/h3-18H2,1-2H3
InChIKeyOPSHXQGWSVJULB-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.58
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dodecyloxyethoxyethyl methyl sulfide
CID 129727540
15-Fluoro-1-(3-methylsulfanylbutoxy)hexadecane
CID 126585896
2-Methyl-2-methylsulfanyl-oxacyclotetradecane
CID 11118757
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
2-Methyl-2-octyl-1,3-oxathiane
CID 85699790
3-Methoxy-8-(methylthio)decane
CID 552620
O-octyl octylsulfanylmethanethioate
CID 5142489
2-(Octacosoxymethyl)thiolane
CID 11605929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-oxacyclooctadecane?
The IUPAC name of 2-methyl-2-methylsulfanyl-oxacyclooctadecane (CID 134871833) is 2-methyl-2-methylsulfanyl-oxacyclooctadecane.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-oxacyclooctadecane?
The canonical SMILES for 2-methyl-2-methylsulfanyl-oxacyclooctadecane is CSC1(C)CCCCCCCCCCCCCCCCO1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-oxacyclooctadecane?
The InChIKey is OPSHXQGWSVJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OS/c1-19(21-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-19/h3-18H2,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanyl-oxacyclooctadecane?
2-methyl-2-methylsulfanyl-oxacyclooctadecane has a molecular weight of 314.58 g/mol, XLogP of 6.95, 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-oxacyclooctadecane is sourced from PubChem (CID 134871833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).