trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane

C16H30Br2O2Se — CID 10413360

IUPACtrans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane
SMILESCCO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@H]1CCCC[C@@H]1OCC
InChIInChI=1S/C16H30Br2O2Se/c1-3-19-13-9-5-7-11-15(13)21(17,18)16-12-8-6-10-14(16)20-4-2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-/m0/s1
InChIKeyUCICCHIZLPEYAC-VGWMRTNUSA-N
MW493.18 g/mol
LogP5.92
Rot. Bonds6

About trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane

trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane (PubChem CID 10413360) has the molecular formula C16H30Br2O2Se and a molecular weight of 493.18 g/mol. Its IUPAC name is trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane
PubChem CID10413360
Molecular FormulaC16H30Br2O2Se
Molecular Weight493.18 g/mol
Exact Mass491.98
IUPAC Nametrans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane
SMILESCCO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@H]1CCCC[C@@H]1OCC
InChIInChI=1S/C16H30Br2O2Se/c1-3-19-13-9-5-7-11-15(13)21(17,18)16-12-8-6-10-14(16)20-4-2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-/m0/s1
InChIKeyUCICCHIZLPEYAC-VGWMRTNUSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.18
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane?
The IUPAC name of trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane (CID 10413360) is trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane.
What is the SMILES notation for trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane?
The canonical SMILES for trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane is CCO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@H]1CCCC[C@@H]1OCC.
What is the InChIKey of trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane?
The InChIKey is UCICCHIZLPEYAC-VGWMRTNUSA-N. The full InChI is InChI=1S/C16H30Br2O2Se/c1-3-19-13-9-5-7-11-15(13)21(17,18)16-12-8-6-10-14(16)20-4-2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane?
trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane has a molecular weight of 493.18 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane is sourced from PubChem (CID 10413360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).