(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde

C19H30N2O4Si — CID 10045229

IUPAC(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)C=C1C=O
InChIInChI=1S/C19H30N2O4Si/c1-13(2)19(3,4)26(5,6)25-12-15-10-16(9-14(15)11-22)21-8-7-17(23)20-18(21)24/h7-9,11,13,15-16H,10,12H2,1-6H3,(H,20,23,24)/t15-,16+/m1/s1
InChIKeyQDLQZULPDQEGAV-CVEARBPZSA-N
MW378.55 g/mol
LogP2.88
Rot. Bonds7

About (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde

(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde (PubChem CID 10045229) has the molecular formula C19H30N2O4Si and a molecular weight of 378.55 g/mol. Its IUPAC name is (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde
PubChem CID10045229
Molecular FormulaC19H30N2O4Si
Molecular Weight378.55 g/mol
Exact Mass378.20
IUPAC Name(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)C=C1C=O
InChIInChI=1S/C19H30N2O4Si/c1-13(2)19(3,4)26(5,6)25-12-15-10-16(9-14(15)11-22)21-8-7-17(23)20-18(21)24/h7-9,11,13,15-16H,10,12H2,1-6H3,(H,20,23,24)/t15-,16+/m1/s1
InChIKeyQDLQZULPDQEGAV-CVEARBPZSA-N
XLogP2.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate
CID 10182296
5-bromo-1-[(1S,4R)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 11294107
1-[(2R,3R,4R)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163862001
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743
1-[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 57150410
1-[(2R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174121059
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 140866833
(2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
CID 5469271
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10785196
1-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 11280520

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde?
The IUPAC name of (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde (CID 10045229) is (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde.
What is the SMILES notation for (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde?
The canonical SMILES for (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde is CC(C)C(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)C=C1C=O.
What is the InChIKey of (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde?
The InChIKey is QDLQZULPDQEGAV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N2O4Si/c1-13(2)19(3,4)26(5,6)25-12-15-10-16(9-14(15)11-22)21-8-7-17(23)20-18(21)24/h7-9,11,13,15-16H,10,12H2,1-6H3,(H,20,23,24)/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde?
(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde has a molecular weight of 378.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopentene-1-carbaldehyde is sourced from PubChem (CID 10045229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).