1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione

C30H46N2O8Si2 — CID 11814149

IUPAC1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](n3ccc(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCOCC[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C30H46N2O8Si2/c1-29(2,3)42(30(4,5)6)38-19-22-24(40-42)25(37-20-36-17-18-41(7,8)9)27(39-22)31-16-15-23(33)32(28(31)35)26(34)21-13-11-10-12-14-21/h10-16,22,24-25,27H,17-20H2,1-9H3/t22-,24-,25-,27-/m1/s1
InChIKeyOJRXWXDRMAVQAT-LYPBTDJXSA-N
MW618.88 g/mol
LogP4.75
Rot. Bonds8

About 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione

1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione (PubChem CID 11814149) has the molecular formula C30H46N2O8Si2 and a molecular weight of 618.88 g/mol. Its IUPAC name is 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione
PubChem CID11814149
Molecular FormulaC30H46N2O8Si2
Molecular Weight618.88 g/mol
Exact Mass618.28
IUPAC Name1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](n3ccc(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCOCC[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C30H46N2O8Si2/c1-29(2,3)42(30(4,5)6)38-19-22-24(40-42)25(37-20-36-17-18-41(7,8)9)27(39-22)31-16-15-23(33)32(28(31)35)26(34)21-13-11-10-12-14-21/h10-16,22,24-25,27H,17-20H2,1-9H3/t22-,24-,25-,27-/m1/s1
InChIKeyOJRXWXDRMAVQAT-LYPBTDJXSA-N
XLogP4.75
TPSA107.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.88
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione
CID 13009885
3-[[(4aR,6R,7R,7aR)-6-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-(1-cyano-2-methylpropan-2-yl)oxyphosphinothioyl]oxy-3-methylbutanenitrile
CID 10628853
1-[(6aR,8R,9R,9aR)-2,2,4,4-tetra(propan-2-yl)-9-propoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione
CID 70033908
2-[[(6aR,8R,9R,9aR)-8-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]-N,N-bis(prop-2-ynyl)acetamide
CID 171044411
[(2R,3S,4S,5R,6R)-2-[[(4aR,6S,7R,8R,8aS)-7,8-dibenzoyloxy-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxymethyl]-4,5-dibenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-3-yl] benzoate
CID 102596302
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(methylsulfanylmethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]pyrimidine-2,4-dione
CID 102233629
[(4aR,7R,7aR)-2,2-ditert-butyl-6-[6-(2-trimethylsilylethoxy)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl] acetate
CID 70799502
3-benzoyl-1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-(ethyldisulfanyl)ethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 59718461
1-[(4aR,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-7-yl]-3-benzoylpyrimidine-2,4-dione
CID 11049994
[(2R,3R,4R,5R)-5-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] benzoate
CID 169189332
[(2R,3R,4R,5R)-4-acetyloxy-5-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl] acetate
CID 23255466
3-benzoyl-1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 171776092

Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione (CID 11814149) is 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](n3ccc(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCOCC[Si](C)(C)C)[C@@H]2O1.
What is the InChIKey of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione?
The InChIKey is OJRXWXDRMAVQAT-LYPBTDJXSA-N. The full InChI is InChI=1S/C30H46N2O8Si2/c1-29(2,3)42(30(4,5)6)38-19-22-24(40-42)25(37-20-36-17-18-41(7,8)9)27(39-22)31-16-15-23(33)32(28(31)35)26(34)21-13-11-10-12-14-21/h10-16,22,24-25,27H,17-20H2,1-9H3/t22-,24-,25-,27-/m1/s1.
What are the key properties of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione?
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione has a molecular weight of 618.88 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(2-trimethylsilylethoxymethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione is sourced from PubChem (CID 11814149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).