(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene

C20H40SSe — CID 11315334

IUPAC(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
SMILESCCCCCCCCCC/C(=C/[Se]CCCC)SCCCC
InChIInChI=1S/C20H40SSe/c1-4-7-10-11-12-13-14-15-16-20(21-17-8-5-2)19-22-18-9-6-3/h19H,4-18H2,1-3H3/b20-19-
InChIKeyMVIHVVNGKSPMNH-VXPUYCOJSA-N
MW391.57 g/mol
LogP7.81
Rot. Bonds17

About (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene

(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene (PubChem CID 11315334) has the molecular formula C20H40SSe and a molecular weight of 391.57 g/mol. Its IUPAC name is (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene.

Molecular Properties

Compound Name(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
PubChem CID11315334
Molecular FormulaC20H40SSe
Molecular Weight391.57 g/mol
Exact Mass392.20
IUPAC Name(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
SMILESCCCCCCCCCC/C(=C/[Se]CCCC)SCCCC
InChIInChI=1S/C20H40SSe/c1-4-7-10-11-12-13-14-15-16-20(21-17-8-5-2)19-22-18-9-6-3/h19H,4-18H2,1-3H3/b20-19-
InChIKeyMVIHVVNGKSPMNH-VXPUYCOJSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.57
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane
CID 11293530
(Z)-7-butylsulfanylhexadec-7-en-9-yne
CID 102456334
(Z)-1,2-bis(propylsulfanyl)oct-1-ene
CID 102019133
S-butyl nonanethioate
CID 10421399
(Z)-5-butylsulfanyldodec-5-en-7-yne
CID 102456333
octyl nonanedithioate
CID 3826272
1-(2-butylsulfanylnon-1-enyl)benzotriazole
CID 3334308
3-methyldec-2-ene
CID 550799
(E)-3-methylnonadec-2-ene
CID 23160392
(E)-3-methyltridec-2-ene
CID 22000795
(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol
CID 11186481
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene?
The IUPAC name of (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene (CID 11315334) is (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene.
What is the SMILES notation for (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene?
The canonical SMILES for (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene is CCCCCCCCCC/C(=C/[Se]CCCC)SCCCC.
What is the InChIKey of (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene?
The InChIKey is MVIHVVNGKSPMNH-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H40SSe/c1-4-7-10-11-12-13-14-15-16-20(21-17-8-5-2)19-22-18-9-6-3/h19H,4-18H2,1-3H3/b20-19-.
What are the key properties of (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene?
(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene has a molecular weight of 391.57 g/mol, XLogP of 7.81, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene is sourced from PubChem (CID 11315334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).