(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione

C25H28O4Si — CID 139255285

IUPAC(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCC1=C2C(=O)OC[C@@H]2[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O
InChIInChI=1S/C25H28O4Si/c1-17-22-20(15-28-24(22)27)21(23(17)26)16-29-30(25(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21+/m1/s1
InChIKeyHYTYOWPSGOBDDQ-RTWAWAEBSA-N
MW420.58 g/mol
LogP3.25
Rot. Bonds5

About (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione

(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione (PubChem CID 139255285) has the molecular formula C25H28O4Si and a molecular weight of 420.58 g/mol. Its IUPAC name is (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione.

Molecular Properties

Compound Name(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
PubChem CID139255285
Molecular FormulaC25H28O4Si
Molecular Weight420.58 g/mol
Exact Mass420.18
IUPAC Name(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCC1=C2C(=O)OC[C@@H]2[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O
InChIInChI=1S/C25H28O4Si/c1-17-22-20(15-28-24(22)27)21(23(17)26)16-29-30(25(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21+/m1/s1
InChIKeyHYTYOWPSGOBDDQ-RTWAWAEBSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 11327622
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050

Frequently Asked Questions

What is the IUPAC name of (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The IUPAC name of (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione (CID 139255285) is (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione.
What is the SMILES notation for (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The canonical SMILES for (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione is CC1=C2C(=O)OC[C@@H]2[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O.
What is the InChIKey of (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The InChIKey is HYTYOWPSGOBDDQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H28O4Si/c1-17-22-20(15-28-24(22)27)21(23(17)26)16-29-30(25(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione has a molecular weight of 420.58 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione is sourced from PubChem (CID 139255285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).