5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one

C28H57NO4Si — CID 142703855

IUPAC5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H57NO4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)27-25(29-28(31)33-27)21-32-34(22(2)3,23(4)5)24(6)7/h22-27,30H,8-21H2,1-7H3,(H,29,31)
InChIKeyZVWIQSISZOWPKW-UHFFFAOYSA-N
MW499.85 g/mol
LogP8.11
Rot. Bonds20

About 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one

5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one (PubChem CID 142703855) has the molecular formula C28H57NO4Si and a molecular weight of 499.85 g/mol. Its IUPAC name is 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
PubChem CID142703855
Molecular FormulaC28H57NO4Si
Molecular Weight499.85 g/mol
Exact Mass499.41
IUPAC Name5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H57NO4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)27-25(29-28(31)33-27)21-32-34(22(2)3,23(4)5)24(6)7/h22-27,30H,8-21H2,1-7H3,(H,29,31)
InChIKeyZVWIQSISZOWPKW-UHFFFAOYSA-N
XLogP8.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.85
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one (CID 142703855) is 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZVWIQSISZOWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)27-25(29-28(31)33-27)21-32-34(22(2)3,23(4)5)24(6)7/h22-27,30H,8-21H2,1-7H3,(H,29,31).
What are the key properties of 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one?
5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 499.85 g/mol, XLogP of 8.11, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142703855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).