1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H26N2O4Si — CID 11313759

IUPAC1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26N2O4Si/c1-10-9-18(15(20)17-14(10)19)13-8-12(11(2)21-13)22-23(6,7)16(3,4)5/h9,12-13H,2,8H2,1,3-7H3,(H,17,19,20)/t12-,13+/m0/s1
InChIKeyZIESHTXGCMQNHU-QWHCGFSZSA-N
MW338.48 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11313759) has the molecular formula C16H26N2O4Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11313759
Molecular FormulaC16H26N2O4Si
Molecular Weight338.48 g/mol
Exact Mass338.17
IUPAC Name1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26N2O4Si/c1-10-9-18(15(20)17-14(10)19)13-8-12(11(2)21-13)22-23(6,7)16(3,4)5/h9,12-13H,2,8H2,1,3-7H3,(H,17,19,20)/t12-,13+/m0/s1
InChIKeyZIESHTXGCMQNHU-QWHCGFSZSA-N
XLogP2.67
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione
CID 24823051
methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 164745352
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
CID 158180539
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11574799
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
[(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]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177407271
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(phenylmethoxyamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15476584

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 11313759) is 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=C1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ZIESHTXGCMQNHU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O4Si/c1-10-9-18(15(20)17-14(10)19)13-8-12(11(2)21-13)22-23(6,7)16(3,4)5/h9,12-13H,2,8H2,1,3-7H3,(H,17,19,20)/t12-,13+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 338.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11313759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).