(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane

C10H18OSSe — CID 134923148

IUPAC(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
SMILESC=C[C@H]1C[Se][C@](C)(SCCCC)O1
InChIInChI=1S/C10H18OSSe/c1-4-6-7-12-10(3)11-9(5-2)8-13-10/h5,9H,2,4,6-8H2,1,3H3/t9-,10-/m0/s1
InChIKeyANKUBQYGMHQDGE-UWVGGRQHSA-N
MW265.28 g/mol
LogP2.90
Rot. Bonds5

About (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane

(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane (PubChem CID 134923148) has the molecular formula C10H18OSSe and a molecular weight of 265.28 g/mol. Its IUPAC name is (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane.

Molecular Properties

Compound Name(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
PubChem CID134923148
Molecular FormulaC10H18OSSe
Molecular Weight265.28 g/mol
Exact Mass266.02
IUPAC Name(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
SMILESC=C[C@H]1C[Se][C@](C)(SCCCC)O1
InChIInChI=1S/C10H18OSSe/c1-4-6-7-12-10(3)11-9(5-2)8-13-10/h5,9H,2,4,6-8H2,1,3H3/t9-,10-/m0/s1
InChIKeyANKUBQYGMHQDGE-UWVGGRQHSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,3-Oxathiolane, 2,5-dimethyl-4-methylene-
CID 12286803
(2S,5R)-2-butylsulfanyl-5-ethenyl-2,5-dimethyl-1,3-oxaselenolane
CID 134986635
3-But-3-en-2-yloxythiolane
CID 21410044
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
2-Ethylsulfanylethoxyethene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821
3-Butoxy-6-propylsulfanylhex-1-ene
CID 123230129
(2S,5R)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
CID 11032770
(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene
CID 142987481

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane?
The IUPAC name of (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane (CID 134923148) is (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane.
What is the SMILES notation for (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane?
The canonical SMILES for (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane is C=C[C@H]1C[Se][C@](C)(SCCCC)O1.
What is the InChIKey of (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane?
The InChIKey is ANKUBQYGMHQDGE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18OSSe/c1-4-6-7-12-10(3)11-9(5-2)8-13-10/h5,9H,2,4,6-8H2,1,3H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane?
(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane has a molecular weight of 265.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane is sourced from PubChem (CID 134923148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).