2-(9-nonan-2-ylsulfanylnonyl)oxane

C23H46OS — CID 23326576

IUPAC2-(9-nonan-2-ylsulfanylnonyl)oxane
SMILESCCCCCCCC(C)SCCCCCCCCCC1CCCCO1
InChIInChI=1S/C23H46OS/c1-3-4-5-9-12-17-22(2)25-21-16-11-8-6-7-10-13-18-23-19-14-15-20-24-23/h22-23H,3-21H2,1-2H3
InChIKeyWQLYGDBZTLIPHN-UHFFFAOYSA-N
MW370.69 g/mol
LogP8.16
Rot. Bonds17

About 2-(9-nonan-2-ylsulfanylnonyl)oxane

2-(9-nonan-2-ylsulfanylnonyl)oxane (PubChem CID 23326576) has the molecular formula C23H46OS and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(9-nonan-2-ylsulfanylnonyl)oxane.

Molecular Properties

Compound Name2-(9-nonan-2-ylsulfanylnonyl)oxane
PubChem CID23326576
Molecular FormulaC23H46OS
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name2-(9-nonan-2-ylsulfanylnonyl)oxane
SMILESCCCCCCCC(C)SCCCCCCCCCC1CCCCO1
InChIInChI=1S/C23H46OS/c1-3-4-5-9-12-17-22(2)25-21-16-11-8-6-7-10-13-18-23-19-14-15-20-24-23/h22-23H,3-21H2,1-2H3
InChIKeyWQLYGDBZTLIPHN-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(9-nonan-2-ylsulfanylnonyl)oxane?
The IUPAC name of 2-(9-nonan-2-ylsulfanylnonyl)oxane (CID 23326576) is 2-(9-nonan-2-ylsulfanylnonyl)oxane.
What is the SMILES notation for 2-(9-nonan-2-ylsulfanylnonyl)oxane?
The canonical SMILES for 2-(9-nonan-2-ylsulfanylnonyl)oxane is CCCCCCCC(C)SCCCCCCCCCC1CCCCO1.
What is the InChIKey of 2-(9-nonan-2-ylsulfanylnonyl)oxane?
The InChIKey is WQLYGDBZTLIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OS/c1-3-4-5-9-12-17-22(2)25-21-16-11-8-6-7-10-13-18-23-19-14-15-20-24-23/h22-23H,3-21H2,1-2H3.
What are the key properties of 2-(9-nonan-2-ylsulfanylnonyl)oxane?
2-(9-nonan-2-ylsulfanylnonyl)oxane has a molecular weight of 370.69 g/mol, XLogP of 8.16, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-nonan-2-ylsulfanylnonyl)oxane is sourced from PubChem (CID 23326576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).