(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene

C16H32O2S — CID 58582768

IUPAC(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene
SMILESCOOCCCCCCCCC/C=C\CC(C)SC
InChIInChI=1S/C16H32O2S/c1-16(19-3)14-12-10-8-6-4-5-7-9-11-13-15-18-17-2/h10,12,16H,4-9,11,13-15H2,1-3H3/b12-10-
InChIKeyNBUKPUUDTHCEPB-BENRWUELSA-N
MW288.50 g/mol
LogP5.38
Rot. Bonds14

About (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene

(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene (PubChem CID 58582768) has the molecular formula C16H32O2S and a molecular weight of 288.50 g/mol. Its IUPAC name is (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene.

Molecular Properties

Compound Name(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene
PubChem CID58582768
Molecular FormulaC16H32O2S
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene
SMILESCOOCCCCCCCCC/C=C\CC(C)SC
InChIInChI=1S/C16H32O2S/c1-16(19-3)14-12-10-8-6-4-5-7-9-11-13-15-18-17-2/h10,12,16H,4-9,11,13-15H2,1-3H3/b12-10-
InChIKeyNBUKPUUDTHCEPB-BENRWUELSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene?
The IUPAC name of (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene (CID 58582768) is (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene.
What is the SMILES notation for (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene?
The canonical SMILES for (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene is COOCCCCCCCCC/C=C\CC(C)SC.
What is the InChIKey of (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene?
The InChIKey is NBUKPUUDTHCEPB-BENRWUELSA-N. The full InChI is InChI=1S/C16H32O2S/c1-16(19-3)14-12-10-8-6-4-5-7-9-11-13-15-18-17-2/h10,12,16H,4-9,11,13-15H2,1-3H3/b12-10-.
What are the key properties of (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene?
(Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene has a molecular weight of 288.50 g/mol, XLogP of 5.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-14-methylperoxy-2-methylsulfanyltetradec-4-ene is sourced from PubChem (CID 58582768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).