2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane

C22H42OS — CID 23326605

IUPAC2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane
SMILESC=CC(CCCC)SCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H42OS/c1-3-5-18-22(4-2)24-20-14-12-10-8-6-7-9-11-13-16-21-17-15-19-23-21/h4,21-22H,2-3,5-20H2,1H3
InChIKeyZAUWWJSQTFRWFY-UHFFFAOYSA-N
MW354.64 g/mol
LogP7.54
Rot. Bonds17

About 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane

2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane (PubChem CID 23326605) has the molecular formula C22H42OS and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane.

Molecular Properties

Compound Name2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane
PubChem CID23326605
Molecular FormulaC22H42OS
Molecular Weight354.64 g/mol
Exact Mass354.30
IUPAC Name2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane
SMILESC=CC(CCCC)SCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H42OS/c1-3-5-18-22(4-2)24-20-14-12-10-8-6-7-9-11-13-16-21-17-15-19-23-21/h4,21-22H,2-3,5-20H2,1H3
InChIKeyZAUWWJSQTFRWFY-UHFFFAOYSA-N
XLogP7.54
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 ≤ 57.54
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-1-en-3-ylsulfanylundecyl)oxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylsulfanyl-2-prop-2-enyl-oxacycloheptadecane
CID 14681314
2-Methylsulfanyl-2-prop-2-enyl-oxacyclooctadecane
CID 134871894
1-[3-[(E)-hept-1-enyl]sulfanyl-2-octadecoxypropoxy]octadecane
CID 20357259
1-[2-dodecoxy-3-[(E)-hept-1-enyl]sulfanylpropoxy]dodecane
CID 20357263
2-(4-Non-1-en-3-ylsulfanylbutyl)oxane
CID 23326560
But-3-enyl-methyl-[4-(oxolan-2-yl)butyl]sulfanium
CID 23326603
10-(Oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium
CID 23326632
2-(5-Prop-2-enylsulfanylpentyl)oxolane
CID 23326679
1-(2-Dodecoxy-3-hept-1-enylsulfanylpropoxy)dodecane
CID 53751826
2-[5-[8-(Oxolan-2-yl)oct-1-en-4-ylsulfanyl]oct-7-enyl]oxolane
CID 53829867
1-(3-Hept-1-enylsulfanyl-2-octadecoxypropoxy)octadecane
CID 54517484
2-(4-Non-2-enylsulfanylbutyl)oxane
CID 70456003

Frequently Asked Questions

What is the IUPAC name of 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane?
The IUPAC name of 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane (CID 23326605) is 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane.
What is the SMILES notation for 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane?
The canonical SMILES for 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane is C=CC(CCCC)SCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane?
The InChIKey is ZAUWWJSQTFRWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OS/c1-3-5-18-22(4-2)24-20-14-12-10-8-6-7-9-11-13-16-21-17-15-19-23-21/h4,21-22H,2-3,5-20H2,1H3.
What are the key properties of 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane?
2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane has a molecular weight of 354.64 g/mol, XLogP of 7.54, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-hept-1-en-3-ylsulfanylundecyl)oxolane is sourced from PubChem (CID 23326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).