trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane

C14H26Br2O2Se — CID 10096016

IUPACtrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane
SMILESCO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C14H26Br2O2Se/c1-17-11-7-3-5-9-13(11)19(15,16)14-10-6-4-8-12(14)18-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyMLMKCKCZBURMGP-KPWCQOOUSA-N
MW465.13 g/mol
LogP5.14
Rot. Bonds4

About trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane

trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane (PubChem CID 10096016) has the molecular formula C14H26Br2O2Se and a molecular weight of 465.13 g/mol. Its IUPAC name is trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane
PubChem CID10096016
Molecular FormulaC14H26Br2O2Se
Molecular Weight465.13 g/mol
Exact Mass463.95
IUPAC Nametrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane
SMILESCO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C14H26Br2O2Se/c1-17-11-7-3-5-9-13(11)19(15,16)14-10-6-4-8-12(14)18-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyMLMKCKCZBURMGP-KPWCQOOUSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.13
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-lambda4-selanyl]-2-methoxycyclohexane
CID 10050140
trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-lambda4-selanyl]-2-propan-2-yloxycyclohexane
CID 10075377
trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane
CID 10390978
trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-ethoxycyclohexyl]-lambda4-selanyl]-2-ethoxycyclohexane
CID 10413360
1-[Dibromo-(2-methoxycyclohexyl)-lambda4-selanyl]-2-methoxycyclohexane
CID 11037945
Bis(2-methoxycyclohexyl)mercury
CID 12476322
bis[(1S,2R)-2-methoxycyclohexyl]mercury
CID 134889988
trans-(1S,2S)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-lambda4-selanyl]-2-propan-2-yloxycyclohexane
CID 134926851
O-cyclohexyl cyclohexylselanylmethaneselenoate
CID 88085718
Bis(methoxycyclohexane);yttrium
CID 145777430
1-[Dichloro-(2-methoxycyclohexyl)-lambda4-selanyl]-2-methoxycyclohexane
CID 259393
trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane
CID 10402818

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane (CID 10096016) is trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane is CO[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC.
What is the InChIKey of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane?
The InChIKey is MLMKCKCZBURMGP-KPWCQOOUSA-N. The full InChI is InChI=1S/C14H26Br2O2Se/c1-17-11-7-3-5-9-13(11)19(15,16)14-10-6-4-8-12(14)18-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+.
What are the key properties of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane?
trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane has a molecular weight of 465.13 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-methoxycyclohexyl]-λ4-selanyl]-2-methoxycyclohexane is sourced from PubChem (CID 10096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).