2-(11-hept-2-enylsulfanylundecyl)oxolane

C22H42OS — CID 70456693

IUPAC2-(11-hept-2-enylsulfanylundecyl)oxolane
SMILESCCCCC=CCSCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H42OS/c1-2-3-4-11-14-20-24-21-15-12-9-7-5-6-8-10-13-17-22-18-16-19-23-22/h11,14,22H,2-10,12-13,15-21H2,1H3
InChIKeyYWCZQHBAWFIMDV-UHFFFAOYSA-N
MW354.64 g/mol
LogP7.55
Rot. Bonds17

About 2-(11-hept-2-enylsulfanylundecyl)oxolane

2-(11-hept-2-enylsulfanylundecyl)oxolane (PubChem CID 70456693) has the molecular formula C22H42OS and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-(11-hept-2-enylsulfanylundecyl)oxolane.

Molecular Properties

Compound Name2-(11-hept-2-enylsulfanylundecyl)oxolane
PubChem CID70456693
Molecular FormulaC22H42OS
Molecular Weight354.64 g/mol
Exact Mass354.30
IUPAC Name2-(11-hept-2-enylsulfanylundecyl)oxolane
SMILESCCCCC=CCSCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H42OS/c1-2-3-4-11-14-20-24-21-15-12-9-7-5-6-8-10-13-17-22-18-16-19-23-22/h11,14,22H,2-10,12-13,15-21H2,1H3
InChIKeyYWCZQHBAWFIMDV-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(11-hept-2-enylsulfanylundecyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(11-hept-2-enylsulfanylundecyl)oxolane?
The IUPAC name of 2-(11-hept-2-enylsulfanylundecyl)oxolane (CID 70456693) is 2-(11-hept-2-enylsulfanylundecyl)oxolane.
What is the SMILES notation for 2-(11-hept-2-enylsulfanylundecyl)oxolane?
The canonical SMILES for 2-(11-hept-2-enylsulfanylundecyl)oxolane is CCCCC=CCSCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-(11-hept-2-enylsulfanylundecyl)oxolane?
The InChIKey is YWCZQHBAWFIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OS/c1-2-3-4-11-14-20-24-21-15-12-9-7-5-6-8-10-13-17-22-18-16-19-23-22/h11,14,22H,2-10,12-13,15-21H2,1H3.
What are the key properties of 2-(11-hept-2-enylsulfanylundecyl)oxolane?
2-(11-hept-2-enylsulfanylundecyl)oxolane has a molecular weight of 354.64 g/mol, XLogP of 7.55, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-hept-2-enylsulfanylundecyl)oxolane is sourced from PubChem (CID 70456693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).