(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene

C10H18SSe — CID 12027141

IUPAC(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene
SMILESC=CC/C=C(/SCCCC)[Se]C
InChIInChI=1S/C10H18SSe/c1-4-6-8-10(12-3)11-9-7-5-2/h4,8H,1,5-7,9H2,2-3H3/b10-8-
InChIKeyUDWBVQPXAPVRGR-NTMALXAHSA-N
MW249.28 g/mol
LogP3.69
Rot. Bonds7

About (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene

(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene (PubChem CID 12027141) has the molecular formula C10H18SSe and a molecular weight of 249.28 g/mol. Its IUPAC name is (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene.

Molecular Properties

Compound Name(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene
PubChem CID12027141
Molecular FormulaC10H18SSe
Molecular Weight249.28 g/mol
Exact Mass250.03
IUPAC Name(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene
SMILESC=CC/C=C(/SCCCC)[Se]C
InChIInChI=1S/C10H18SSe/c1-4-6-8-10(12-3)11-9-7-5-2/h4,8H,1,5-7,9H2,2-3H3/b10-8-
InChIKeyUDWBVQPXAPVRGR-NTMALXAHSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.69
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methylsulfanyl)but-1-ene
CID 548387
InChI=1/C9H16SSe/c1-3-5-7-9(11)10-8-6-4-2/h3H,1,4-8H2,2H
CID 5325633
2-But-3-enylsulfanyl-2-methylpropane
CID 12385580
4-(Butylsulfanyl)but-1-ene
CID 14112203
Butenyl butyl sulfide
CID 85404793
Pentenyl butyl sulfide
CID 129735218
1-[(E)-but-1-enyl]sulfanylbutane
CID 11116182
(E)-1-propylsulfanylbut-1-ene
CID 12664845
(E)-1-butan-2-ylsulfanylbut-1-ene
CID 13096404
(E)-1-butylsulfanylhex-1-ene
CID 13468726
4-[Butylsulfanyl(methylselanyl)methylidene]hepta-1,6-diene
CID 15427338
(1E)-1-butylsulfanyl-1-[[(1E)-1-butylsulfanylpenta-1,4-dienyl]diselanyl]penta-1,4-diene
CID 100934747

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene?
The IUPAC name of (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene (CID 12027141) is (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene.
What is the SMILES notation for (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene?
The canonical SMILES for (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene is C=CC/C=C(/SCCCC)[Se]C.
What is the InChIKey of (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene?
The InChIKey is UDWBVQPXAPVRGR-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18SSe/c1-4-6-8-10(12-3)11-9-7-5-2/h4,8H,1,5-7,9H2,2-3H3/b10-8-.
What are the key properties of (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene?
(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene has a molecular weight of 249.28 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-diene is sourced from PubChem (CID 12027141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).