2-methylsulfanyl-oxacyclotetradecane

C14H28OS — CID 15424833

IUPAC2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1CCCCCCCCCCCCO1
InChIInChI=1S/C14H28OS/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-14/h14H,2-13H2,1H3
InChIKeyRVDUWPVIKNQYIP-UHFFFAOYSA-N
MW244.44 g/mol
LogP5.00
Rot. Bonds1

About 2-methylsulfanyl-oxacyclotetradecane

2-methylsulfanyl-oxacyclotetradecane (PubChem CID 15424833) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 2-methylsulfanyl-oxacyclotetradecane.

Molecular Properties

Compound Name2-methylsulfanyl-oxacyclotetradecane
PubChem CID15424833
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name2-methylsulfanyl-oxacyclotetradecane
SMILESCSC1CCCCCCCCCCCCO1
InChIInChI=1S/C14H28OS/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-14/h14H,2-13H2,1H3
InChIKeyRVDUWPVIKNQYIP-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-oxacyclotetradecane?
The IUPAC name of 2-methylsulfanyl-oxacyclotetradecane (CID 15424833) is 2-methylsulfanyl-oxacyclotetradecane.
What is the SMILES notation for 2-methylsulfanyl-oxacyclotetradecane?
The canonical SMILES for 2-methylsulfanyl-oxacyclotetradecane is CSC1CCCCCCCCCCCCO1.
What is the InChIKey of 2-methylsulfanyl-oxacyclotetradecane?
The InChIKey is RVDUWPVIKNQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-14/h14H,2-13H2,1H3.
What are the key properties of 2-methylsulfanyl-oxacyclotetradecane?
2-methylsulfanyl-oxacyclotetradecane has a molecular weight of 244.44 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-oxacyclotetradecane is sourced from PubChem (CID 15424833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).