1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane

C14H26Br2O2Se — CID 11037945

IUPAC1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane
SMILESCOC1CCCCC1[Se](Br)(Br)C1CCCCC1OC
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
InChIKeyMLMKCKCZBURMGP-UHFFFAOYSA-N
MW465.13 g/mol
LogP5.14
Rot. Bonds4

About 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane

1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane (PubChem CID 11037945) has the molecular formula C14H26Br2O2Se and a molecular weight of 465.13 g/mol. Its IUPAC name is 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane.

Molecular Properties

Compound Name1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane
PubChem CID11037945
Molecular FormulaC14H26Br2O2Se
Molecular Weight465.13 g/mol
Exact Mass463.95
IUPAC Name1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane
SMILESCOC1CCCCC1[Se](Br)(Br)C1CCCCC1OC
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
InChIKeyMLMKCKCZBURMGP-UHFFFAOYSA-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

cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
2-methoxycyclohexan-1-olate
CID 135042993
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
1-(2-bromocyclopentyl)-2-methoxycyclohexane
CID 130586993
iodomethane;1-methoxy-2-methylcyclohexane
CID 168960472
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
(2-methoxycyclohexyl)-trimethylsilane
CID 560655

Frequently Asked Questions

What is the IUPAC name of 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane?
The IUPAC name of 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane (CID 11037945) is 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane.
What is the SMILES notation for 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane?
The canonical SMILES for 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane is COC1CCCCC1[Se](Br)(Br)C1CCCCC1OC.
What is the InChIKey of 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane?
The InChIKey is MLMKCKCZBURMGP-UHFFFAOYSA-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.
What are the key properties of 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane?
1-[dibromo-(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 1-[dibromo-(2-methoxycyclohexyl)-λ4-selanyl]-2-methoxycyclohexane is sourced from PubChem (CID 11037945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).