2-(9-decylsulfanylnonyl)oxolane

C23H46OS — CID 23326691

IUPAC2-(9-decylsulfanylnonyl)oxolane
SMILESCCCCCCCCCCSCCCCCCCCCC1CCCO1
InChIInChI=1S/C23H46OS/c1-2-3-4-5-6-9-12-15-21-25-22-16-13-10-7-8-11-14-18-23-19-17-20-24-23/h23H,2-22H2,1H3
InChIKeyMILCTRLTOGVZDG-UHFFFAOYSA-N
MW370.69 g/mol
LogP8.16
Rot. Bonds19

About 2-(9-decylsulfanylnonyl)oxolane

2-(9-decylsulfanylnonyl)oxolane (PubChem CID 23326691) has the molecular formula C23H46OS and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(9-decylsulfanylnonyl)oxolane.

Molecular Properties

Compound Name2-(9-decylsulfanylnonyl)oxolane
PubChem CID23326691
Molecular FormulaC23H46OS
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name2-(9-decylsulfanylnonyl)oxolane
SMILESCCCCCCCCCCSCCCCCCCCCC1CCCO1
InChIInChI=1S/C23H46OS/c1-2-3-4-5-6-9-12-15-21-25-22-16-13-10-7-8-11-14-18-23-19-17-20-24-23/h23H,2-22H2,1H3
InChIKeyMILCTRLTOGVZDG-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
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-decylsulfanylnonyl)oxolane?
The IUPAC name of 2-(9-decylsulfanylnonyl)oxolane (CID 23326691) is 2-(9-decylsulfanylnonyl)oxolane.
What is the SMILES notation for 2-(9-decylsulfanylnonyl)oxolane?
The canonical SMILES for 2-(9-decylsulfanylnonyl)oxolane is CCCCCCCCCCSCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-(9-decylsulfanylnonyl)oxolane?
The InChIKey is MILCTRLTOGVZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OS/c1-2-3-4-5-6-9-12-15-21-25-22-16-13-10-7-8-11-14-18-23-19-17-20-24-23/h23H,2-22H2,1H3.
What are the key properties of 2-(9-decylsulfanylnonyl)oxolane?
2-(9-decylsulfanylnonyl)oxolane has a molecular weight of 370.69 g/mol, XLogP of 8.16, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-decylsulfanylnonyl)oxolane is sourced from PubChem (CID 23326691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).