3-(8-methylnonoxy)thiolane 1,1-dioxide

C14H28O3S — CID 21429625

IUPAC3-(8-methylnonoxy)thiolane 1,1-dioxide
SMILESCC(C)CCCCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28O3S/c1-13(2)8-6-4-3-5-7-10-17-14-9-11-18(15,16)12-14/h13-14H,3-12H2,1-2H3
InChIKeyULBAANMRDOSTIP-UHFFFAOYSA-N
MW276.44 g/mol
LogP3.19
Rot. Bonds9

About 3-(8-methylnonoxy)thiolane 1,1-dioxide

3-(8-methylnonoxy)thiolane 1,1-dioxide (PubChem CID 21429625) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 3-(8-methylnonoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(8-methylnonoxy)thiolane 1,1-dioxide
PubChem CID21429625
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name3-(8-methylnonoxy)thiolane 1,1-dioxide
SMILESCC(C)CCCCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28O3S/c1-13(2)8-6-4-3-5-7-10-17-14-9-11-18(15,16)12-14/h13-14H,3-12H2,1-2H3
InChIKeyULBAANMRDOSTIP-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methylnonoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(8-methylnonoxy)thiolane 1,1-dioxide (CID 21429625) is 3-(8-methylnonoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(8-methylnonoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(8-methylnonoxy)thiolane 1,1-dioxide is CC(C)CCCCCCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(8-methylnonoxy)thiolane 1,1-dioxide?
The InChIKey is ULBAANMRDOSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-13(2)8-6-4-3-5-7-10-17-14-9-11-18(15,16)12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-(8-methylnonoxy)thiolane 1,1-dioxide?
3-(8-methylnonoxy)thiolane 1,1-dioxide has a molecular weight of 276.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylnonoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 21429625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).