1-iodo-1-methylsulfanyltetradec-1-ene

C15H29IS — CID 175043885

IUPAC1-iodo-1-methylsulfanyltetradec-1-ene
SMILESCCCCCCCCCCCCC=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
InChIKeyXQEKTFYTAOHPLH-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.94
Rot. Bonds12

About 1-iodo-1-methylsulfanyltetradec-1-ene

1-iodo-1-methylsulfanyltetradec-1-ene (PubChem CID 175043885) has the molecular formula C15H29IS and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-iodo-1-methylsulfanyltetradec-1-ene.

Molecular Properties

Compound Name1-iodo-1-methylsulfanyltetradec-1-ene
PubChem CID175043885
Molecular FormulaC15H29IS
Molecular Weight368.37 g/mol
Exact Mass368.10
IUPAC Name1-iodo-1-methylsulfanyltetradec-1-ene
SMILESCCCCCCCCCCCCC=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
InChIKeyXQEKTFYTAOHPLH-UHFFFAOYSA-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
(Z)-1-iodo-1-methylsulfanyltetradec-1-ene
CID 155665898
CID 101181294
CID 101181294

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-methylsulfanyltetradec-1-ene?
The IUPAC name of 1-iodo-1-methylsulfanyltetradec-1-ene (CID 175043885) is 1-iodo-1-methylsulfanyltetradec-1-ene.
What is the SMILES notation for 1-iodo-1-methylsulfanyltetradec-1-ene?
The canonical SMILES for 1-iodo-1-methylsulfanyltetradec-1-ene is CCCCCCCCCCCCC=C(I)SC.
What is the InChIKey of 1-iodo-1-methylsulfanyltetradec-1-ene?
The InChIKey is XQEKTFYTAOHPLH-UHFFFAOYSA-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.
What are the key properties of 1-iodo-1-methylsulfanyltetradec-1-ene?
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 1-iodo-1-methylsulfanyltetradec-1-ene is sourced from PubChem (CID 175043885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).