CID 101264549

C21H39N2O5Si2 — CID 101264549

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c[c]c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H39N2O5Si2/c1-20(2,3)29(7,8)26-14-16-15(28-30(9,10)21(4,5)6)13-18(27-16)23-12-11-17(24)22-19(23)25/h12,15-16,18H,13-14H2,1-10H3,(H,22,24,25)/t15-,16+,18+/m0/s1
InChIKeySTIYNJSSUBGSKL-LZLYRXPVSA-N
MW455.72 g/mol
LogP4.04
Rot. Bonds6

About CID 101264549

CID 101264549 (PubChem CID 101264549) has the molecular formula C21H39N2O5Si2 and a molecular weight of 455.72 g/mol.

Molecular Properties

Compound NameCID 101264549
PubChem CID101264549
Molecular FormulaC21H39N2O5Si2
Molecular Weight455.72 g/mol
Exact Mass455.24
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c[c]c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H39N2O5Si2/c1-20(2,3)29(7,8)26-14-16-15(28-30(9,10)21(4,5)6)13-18(27-16)23-12-11-17(24)22-19(23)25/h12,15-16,18H,13-14H2,1-10H3,(H,22,24,25)/t15-,16+,18+/m0/s1
InChIKeySTIYNJSSUBGSKL-LZLYRXPVSA-N
XLogP4.04
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-deuteriopyrimidine-2,4-dione
CID 14311092
5-(azidomethyl)-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 134837835
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,3-dihydro-1H-purin-6-one
CID 102378497
4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanyloxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 140914218
3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidine-1-carbonitrile
CID 71574810
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) phosphite
CID 11757634
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidine-2,4-dione
CID 67265881
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxypurin-6-one
CID 102507017
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134971257
1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293

Frequently Asked Questions

What is the IUPAC name of CID 101264549?
The IUPAC name of CID 101264549 (CID 101264549) is not available.
What is the SMILES notation for CID 101264549?
The canonical SMILES for CID 101264549 is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c[c]c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 101264549?
The InChIKey is STIYNJSSUBGSKL-LZLYRXPVSA-N. The full InChI is InChI=1S/C21H39N2O5Si2/c1-20(2,3)29(7,8)26-14-16-15(28-30(9,10)21(4,5)6)13-18(27-16)23-12-11-17(24)22-19(23)25/h12,15-16,18H,13-14H2,1-10H3,(H,22,24,25)/t15-,16+,18+/m0/s1.
What are the key properties of CID 101264549?
CID 101264549 has a molecular weight of 455.72 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101264549 is sourced from PubChem (CID 101264549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).