(Z)-1,2-bis(propylsulfanyl)oct-1-ene

C14H28S2 — CID 102019133

IUPAC(Z)-1,2-bis(propylsulfanyl)oct-1-ene
SMILESCCCCCC/C(=C/SCCC)SCCC
InChIInChI=1S/C14H28S2/c1-4-7-8-9-10-14(16-12-6-3)13-15-11-5-2/h13H,4-12H2,1-3H3/b14-13-
InChIKeyLZGAYPUXCHVJAK-YPKPFQOOSA-N
MW260.51 g/mol
LogP6.08
Rot. Bonds11

About (Z)-1,2-bis(propylsulfanyl)oct-1-ene

(Z)-1,2-bis(propylsulfanyl)oct-1-ene (PubChem CID 102019133) has the molecular formula C14H28S2 and a molecular weight of 260.51 g/mol. Its IUPAC name is (Z)-1,2-bis(propylsulfanyl)oct-1-ene.

Molecular Properties

Compound Name(Z)-1,2-bis(propylsulfanyl)oct-1-ene
PubChem CID102019133
Molecular FormulaC14H28S2
Molecular Weight260.51 g/mol
Exact Mass260.16
IUPAC Name(Z)-1,2-bis(propylsulfanyl)oct-1-ene
SMILESCCCCCC/C(=C/SCCC)SCCC
InChIInChI=1S/C14H28S2/c1-4-7-8-9-10-14(16-12-6-3)13-15-11-5-2/h13H,4-12H2,1-3H3/b14-13-
InChIKeyLZGAYPUXCHVJAK-YPKPFQOOSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.51
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,2-bis(propylsulfanyl)oct-1-ene 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

(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
CID 11315334
(Z)-7-butylsulfanylhexadec-7-en-9-yne
CID 102456334
2-[(Z)-1-octylsulfanyldec-1-en-2-yl]sulfanylthiophene
CID 72714240
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
octane;sulfanediol
CID 158810031
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
S-butyl nonanethioate
CID 10421399
[(E)-1-thiocyanatodec-1-en-2-yl] thiocyanate
CID 11379813
octyl nonanedithioate
CID 3826272
[(E,3E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 14364581

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-bis(propylsulfanyl)oct-1-ene?
The IUPAC name of (Z)-1,2-bis(propylsulfanyl)oct-1-ene (CID 102019133) is (Z)-1,2-bis(propylsulfanyl)oct-1-ene.
What is the SMILES notation for (Z)-1,2-bis(propylsulfanyl)oct-1-ene?
The canonical SMILES for (Z)-1,2-bis(propylsulfanyl)oct-1-ene is CCCCCC/C(=C/SCCC)SCCC.
What is the InChIKey of (Z)-1,2-bis(propylsulfanyl)oct-1-ene?
The InChIKey is LZGAYPUXCHVJAK-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H28S2/c1-4-7-8-9-10-14(16-12-6-3)13-15-11-5-2/h13H,4-12H2,1-3H3/b14-13-.
What are the key properties of (Z)-1,2-bis(propylsulfanyl)oct-1-ene?
(Z)-1,2-bis(propylsulfanyl)oct-1-ene has a molecular weight of 260.51 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-bis(propylsulfanyl)oct-1-ene is sourced from PubChem (CID 102019133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).