(Z)-1-iodo-3-methylsulfanylhept-1-ene

C8H15IS — CID 11021942

IUPAC(Z)-1-iodo-3-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C\I)SC
InChIInChI=1S/C8H15IS/c1-3-4-5-8(10-2)6-7-9/h6-8H,3-5H2,1-2H3/b7-6-
InChIKeyZIVWEWQOHGBCLL-SREVYHEPSA-N
MW270.18 g/mol
LogP3.86
Rot. Bonds5

About (Z)-1-iodo-3-methylsulfanylhept-1-ene

(Z)-1-iodo-3-methylsulfanylhept-1-ene (PubChem CID 11021942) has the molecular formula C8H15IS and a molecular weight of 270.18 g/mol. Its IUPAC name is (Z)-1-iodo-3-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(Z)-1-iodo-3-methylsulfanylhept-1-ene
PubChem CID11021942
Molecular FormulaC8H15IS
Molecular Weight270.18 g/mol
Exact Mass269.99
IUPAC Name(Z)-1-iodo-3-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C\I)SC
InChIInChI=1S/C8H15IS/c1-3-4-5-8(10-2)6-7-9/h6-8H,3-5H2,1-2H3/b7-6-
InChIKeyZIVWEWQOHGBCLL-SREVYHEPSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium 3-methylsulfanylhept-1-ene
CID 134900891
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(3S,5S)-1-iodo-5-methylnon-1-en-3-ol
CID 54035971
3-methylsulfanylheptane;propane
CID 162726510
4-methyl-3-methylsulfanyloct-2-ene
CID 123700850
(E)-5,8-dichlorododec-6-ene
CID 87576727
3,4-dimethyl-2-methylsulfanyloctane
CID 139468538
methyl 2-methylsulfanylhexanoate
CID 115659192
azane;5-butyldecane
CID 118324151
1,1-dichloropentane;gallane
CID 174452216

Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodo-3-methylsulfanylhept-1-ene?
The IUPAC name of (Z)-1-iodo-3-methylsulfanylhept-1-ene (CID 11021942) is (Z)-1-iodo-3-methylsulfanylhept-1-ene.
What is the SMILES notation for (Z)-1-iodo-3-methylsulfanylhept-1-ene?
The canonical SMILES for (Z)-1-iodo-3-methylsulfanylhept-1-ene is CCCCC(/C=C\I)SC.
What is the InChIKey of (Z)-1-iodo-3-methylsulfanylhept-1-ene?
The InChIKey is ZIVWEWQOHGBCLL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15IS/c1-3-4-5-8(10-2)6-7-9/h6-8H,3-5H2,1-2H3/b7-6-.
What are the key properties of (Z)-1-iodo-3-methylsulfanylhept-1-ene?
(Z)-1-iodo-3-methylsulfanylhept-1-ene has a molecular weight of 270.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodo-3-methylsulfanylhept-1-ene is sourced from PubChem (CID 11021942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).