[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane

C24H52N2O6Si5 — CID 553482

IUPAC[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane
SMILESC[Si](C)(C)OCC1OC(c2cnc(O[Si](C)(C)C)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C24H52N2O6Si5/c1-33(2,3)27-17-19-21(29-34(4,5)6)22(30-35(7,8)9)20(28-19)18-16-25-24(32-37(13,14)15)26-23(18)31-36(10,11)12/h16,19-22H,17H2,1-15H3
InChIKeyXHLZQKAETJELAB-UHFFFAOYSA-N
MW605.12 g/mol
LogP6.64
Rot. Bonds12

About [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane

[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane (PubChem CID 553482) has the molecular formula C24H52N2O6Si5 and a molecular weight of 605.12 g/mol. Its IUPAC name is [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane
PubChem CID553482
Molecular FormulaC24H52N2O6Si5
Molecular Weight605.12 g/mol
Exact Mass604.27
IUPAC Name[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane
SMILESC[Si](C)(C)OCC1OC(c2cnc(O[Si](C)(C)C)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C24H52N2O6Si5/c1-33(2,3)27-17-19-21(29-34(4,5)6)22(30-35(7,8)9)20(28-19)18-16-25-24(32-37(13,14)15)26-23(18)31-36(10,11)12/h16,19-22H,17H2,1-15H3
InChIKeyXHLZQKAETJELAB-UHFFFAOYSA-N
XLogP6.64
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.12
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane?
The IUPAC name of [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane (CID 553482) is [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane.
What is the SMILES notation for [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane?
The canonical SMILES for [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane is C[Si](C)(C)OCC1OC(c2cnc(O[Si](C)(C)C)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane?
The InChIKey is XHLZQKAETJELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O6Si5/c1-33(2,3)27-17-19-21(29-34(4,5)6)22(30-35(7,8)9)20(28-19)18-16-25-24(32-37(13,14)15)26-23(18)31-36(10,11)12/h16,19-22H,17H2,1-15H3.
What are the key properties of [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane?
[5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane has a molecular weight of 605.12 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,4-bis(trimethylsilyloxy)pyrimidin-5-yl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]methoxy-trimethylsilane is sourced from PubChem (CID 553482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).