(Z)-1-iodo-1-methylsulfanyltetradec-1-ene

C15H29IS — CID 155665898

IUPAC(Z)-1-iodo-1-methylsulfanyltetradec-1-ene
SMILESCCCCCCCCCCCC/C=C(\I)SC
InChIInChI=1S/C15H29IS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h14H,3-13H2,1-2H3/b15-14+
InChIKeyXQEKTFYTAOHPLH-CCEZHUSRSA-N
MW368.37 g/mol
LogP6.94
Rot. Bonds12

About (Z)-1-iodo-1-methylsulfanyltetradec-1-ene

(Z)-1-iodo-1-methylsulfanyltetradec-1-ene (PubChem CID 155665898) has the molecular formula C15H29IS and a molecular weight of 368.37 g/mol. Its IUPAC name is (Z)-1-iodo-1-methylsulfanyltetradec-1-ene.

Molecular Properties

Compound Name(Z)-1-iodo-1-methylsulfanyltetradec-1-ene
PubChem CID155665898
Molecular FormulaC15H29IS
Molecular Weight368.37 g/mol
Exact Mass368.10
IUPAC Name(Z)-1-iodo-1-methylsulfanyltetradec-1-ene
SMILESCCCCCCCCCCCC/C=C(\I)SC
InChIInChI=1S/C15H29IS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h14H,3-13H2,1-2H3/b15-14+
InChIKeyXQEKTFYTAOHPLH-CCEZHUSRSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-iodo-1-methylsulfanylnon-1-ene
CID 12063454
(Z)-1-iodo-1-methylsulfanylnon-1-ene
CID 134987243
(Z)-1-iodo-1-methylsulfanyloct-1-ene
CID 155665897
1-Iodo-1-methylsulfanyltetradec-1-ene
CID 175043885
CID 101181294
CID 101181294

Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodo-1-methylsulfanyltetradec-1-ene?
The IUPAC name of (Z)-1-iodo-1-methylsulfanyltetradec-1-ene (CID 155665898) is (Z)-1-iodo-1-methylsulfanyltetradec-1-ene.
What is the SMILES notation for (Z)-1-iodo-1-methylsulfanyltetradec-1-ene?
The canonical SMILES for (Z)-1-iodo-1-methylsulfanyltetradec-1-ene is CCCCCCCCCCCC/C=C(\I)SC.
What is the InChIKey of (Z)-1-iodo-1-methylsulfanyltetradec-1-ene?
The InChIKey is XQEKTFYTAOHPLH-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H29IS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h14H,3-13H2,1-2H3/b15-14+.
What are the key properties of (Z)-1-iodo-1-methylsulfanyltetradec-1-ene?
(Z)-1-iodo-1-methylsulfanyltetradec-1-ene has a molecular weight of 368.37 g/mol, XLogP of 6.94, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodo-1-methylsulfanyltetradec-1-ene is sourced from PubChem (CID 155665898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).