1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene

C22H30O4Se2 — CID 11260855

IUPAC1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene
SMILESCC[C@H](OCOC)c1ccccc1[Se][Se]c1ccccc1[C@H](CC)OCOC
InChIInChI=1S/C22H30O4Se2/c1-5-19(25-15-23-3)17-11-7-9-13-21(17)27-28-22-14-10-8-12-18(22)20(6-2)26-16-24-4/h7-14,19-20H,5-6,15-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyYAZPZUOPXNJWMW-PMACEKPBSA-N
MW516.40 g/mol
LogP3.10
Rot. Bonds13

About 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene

1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene (PubChem CID 11260855) has the molecular formula C22H30O4Se2 and a molecular weight of 516.40 g/mol. Its IUPAC name is 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene.

Molecular Properties

Compound Name1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene
PubChem CID11260855
Molecular FormulaC22H30O4Se2
Molecular Weight516.40 g/mol
Exact Mass518.05
IUPAC Name1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene
SMILESCC[C@H](OCOC)c1ccccc1[Se][Se]c1ccccc1[C@H](CC)OCOC
InChIInChI=1S/C22H30O4Se2/c1-5-19(25-15-23-3)17-11-7-9-13-21(17)27-28-22-14-10-8-12-18(22)20(6-2)26-16-24-4/h7-14,19-20H,5-6,15-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyYAZPZUOPXNJWMW-PMACEKPBSA-N
XLogP3.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanyl trifluoromethanesulfonate
CID 101337018
methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate
CID 11340531
1-(1-ethoxypropyl)-2-ethylbenzene
CID 19386633
3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene
CID 14700383
2-(methoxymethoxy)propylbenzene
CID 11367357
2,6-bis(1-methoxypropyl)phenol
CID 118038055
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[[(1S,2S)-1-(2-iodophenyl)-1-(methoxymethoxy)butan-2-yl]oxymethyl]ethanamine
CID 163439900
[1-(2-fluorophenyl)-2-(methoxymethoxy)butyl]carbamic acid
CID 174774363
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene?
The IUPAC name of 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene (CID 11260855) is 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene.
What is the SMILES notation for 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene?
The canonical SMILES for 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene is CC[C@H](OCOC)c1ccccc1[Se][Se]c1ccccc1[C@H](CC)OCOC.
What is the InChIKey of 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene?
The InChIKey is YAZPZUOPXNJWMW-PMACEKPBSA-N. The full InChI is InChI=1S/C22H30O4Se2/c1-5-19(25-15-23-3)17-11-7-9-13-21(17)27-28-22-14-10-8-12-18(22)20(6-2)26-16-24-4/h7-14,19-20H,5-6,15-16H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene?
1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene has a molecular weight of 516.40 g/mol, XLogP of 3.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(methoxymethoxy)propyl]-2-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]diselanyl]benzene is sourced from PubChem (CID 11260855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).