methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate

C24H30O5Se — CID 11340531

IUPACmethyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate
SMILESCC[C@H](OCOC)c1ccccc1[Se]CC1(c2ccccc2)CC(C(=O)OC)CO1
InChIInChI=1S/C24H30O5Se/c1-4-21(28-17-26-2)20-12-8-9-13-22(20)30-16-24(19-10-6-5-7-11-19)14-18(15-29-24)23(25)27-3/h5-13,18,21H,4,14-17H2,1-3H3/t18?,21-,24?/m0/s1
InChIKeyOCJXGVUQJPQXPM-VZQLXNMESA-N
MW477.46 g/mol
LogP3.61
Rot. Bonds10

About methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate

methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate (PubChem CID 11340531) has the molecular formula C24H30O5Se and a molecular weight of 477.46 g/mol. Its IUPAC name is methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate
PubChem CID11340531
Molecular FormulaC24H30O5Se
Molecular Weight477.46 g/mol
Exact Mass478.13
IUPAC Namemethyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate
SMILESCC[C@H](OCOC)c1ccccc1[Se]CC1(c2ccccc2)CC(C(=O)OC)CO1
InChIInChI=1S/C24H30O5Se/c1-4-21(28-17-26-2)20-12-8-9-13-22(20)30-16-24(19-10-6-5-7-11-19)14-18(15-29-24)23(25)27-3/h5-13,18,21H,4,14-17H2,1-3H3/t18?,21-,24?/m0/s1
InChIKeyOCJXGVUQJPQXPM-VZQLXNMESA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate?
The IUPAC name of methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate (CID 11340531) is methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate?
The canonical SMILES for methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate is CC[C@H](OCOC)c1ccccc1[Se]CC1(c2ccccc2)CC(C(=O)OC)CO1.
What is the InChIKey of methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate?
The InChIKey is OCJXGVUQJPQXPM-VZQLXNMESA-N. The full InChI is InChI=1S/C24H30O5Se/c1-4-21(28-17-26-2)20-12-8-9-13-22(20)30-16-24(19-10-6-5-7-11-19)14-18(15-29-24)23(25)27-3/h5-13,18,21H,4,14-17H2,1-3H3/t18?,21-,24?/m0/s1.
What are the key properties of methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate?
methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate has a molecular weight of 477.46 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(1S)-1-(methoxymethoxy)propyl]phenyl]selanylmethyl]-5-phenyloxolane-3-carboxylate is sourced from PubChem (CID 11340531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).