trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane

C18H34Br2O2Se — CID 10075377

IUPACtrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane
SMILESCC(C)O[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C18H34Br2O2Se/c1-13(2)21-15-9-5-7-11-17(15)23(19,20)18-12-8-6-10-16(18)22-14(3)4/h13-18H,5-12H2,1-4H3/t15-,16+,17-,18+
InChIKeyGKIPKCRCCNVCDX-USTZCAOPSA-N
MW521.24 g/mol
LogP6.69
Rot. Bonds6

About trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane

trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane (PubChem CID 10075377) has the molecular formula C18H34Br2O2Se and a molecular weight of 521.24 g/mol. Its IUPAC name is trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane
PubChem CID10075377
Molecular FormulaC18H34Br2O2Se
Molecular Weight521.24 g/mol
Exact Mass520.01
IUPAC Nametrans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane
SMILESCC(C)O[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C18H34Br2O2Se/c1-13(2)21-15-9-5-7-11-17(15)23(19,20)18-12-8-6-10-16(18)22-14(3)4/h13-18H,5-12H2,1-4H3/t15-,16+,17-,18+
InChIKeyGKIPKCRCCNVCDX-USTZCAOPSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.24
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane (CID 10075377) is trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane is CC(C)O[C@H]1CCCC[C@@H]1[Se](Br)(Br)[C@@H]1CCCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane?
The InChIKey is GKIPKCRCCNVCDX-USTZCAOPSA-N. The full InChI is InChI=1S/C18H34Br2O2Se/c1-13(2)21-15-9-5-7-11-17(15)23(19,20)18-12-8-6-10-16(18)22-14(3)4/h13-18H,5-12H2,1-4H3/t15-,16+,17-,18+.
What are the key properties of trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane?
trans-(1R,2R)-1-[dibromo-[(1S,2S)-2-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane has a molecular weight of 521.24 g/mol, XLogP of 6.69, 6 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-propan-2-yloxycyclohexyl]-λ4-selanyl]-2-propan-2-yloxycyclohexane is sourced from PubChem (CID 10075377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).