1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate

C23H42O6Si2 — CID 20754308

IUPAC1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
SMILESCC1CCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C23H42O6Si2/c1-15-10-11-27-19(15)18-17(20(24)29-21(18)25)12-23(2,3)22(26)28-16(13-30(4,5)6)14-31(7,8)9/h15-19H,10-14H2,1-9H3
InChIKeyJUWMUBAOWWYNSH-UHFFFAOYSA-N
MW470.76 g/mol
LogP4.73
Rot. Bonds9

About 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate

1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate (PubChem CID 20754308) has the molecular formula C23H42O6Si2 and a molecular weight of 470.76 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
PubChem CID20754308
Molecular FormulaC23H42O6Si2
Molecular Weight470.76 g/mol
Exact Mass470.25
IUPAC Name1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
SMILESCC1CCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C23H42O6Si2/c1-15-10-11-27-19(15)18-17(20(24)29-21(18)25)12-23(2,3)22(26)28-16(13-30(4,5)6)14-31(7,8)9/h15-19H,10-14H2,1-9H3
InChIKeyJUWMUBAOWWYNSH-UHFFFAOYSA-N
XLogP4.73
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.76
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-(4,4-Dimethyl-2-oxooxolan-3-yl)-3-hydroperoxy-2-methylpropyl]-3-hydroperoxy-4,4-dimethylpentyl]-4-(1-trimethylsilylbutan-2-yl)oxolane-2,5-dione
CID 20580311
3-[5-(5,5-Dimethyl-2-oxooxolan-3-yl)-5-hydroperoxy-2-[hydroperoxy-(4-methyl-2-oxooxan-4-yl)methyl]-4-methylpentyl]-4-(1-trimethylsilylbutan-2-yl)oxolane-2,5-dione
CID 20580315
1,3-Bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
CID 20754309
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyl-6-oxooxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754310
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754311
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(6-ethoxy-3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754312
1-O-tert-butyl 5-O-(5-oxooxolan-3-yl) 4-methyl-2-[[4-(2-methyl-3-trimethylsilylpropyl)-2,5-dioxooxolan-3-yl]methyl]pentanedioate
CID 59061000
5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate
CID 59089636
[3,3,4-Trimethyl-2,4-bis(trimethylsilyl)pentan-2-yl] 2-methyl-2-[4-(2-methyloxolan-3-yl)-2,5-dioxooxolan-3-yl]butanoate
CID 59897759
[3-Methyl-2,3-bis(trimethylsilyl)butan-2-yl] 2-methyl-2-[4-(2-methyloxolan-3-yl)-2,5-dioxooxolan-3-yl]butanoate
CID 59897760
CID 60099193
CID 60099193
3-Tert-butyl-4-[(4-tert-butyl-2,5-dioxooxolan-3-yl)-methoxymethyl]oxolane-2,5-dione
CID 89391719

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The IUPAC name of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate (CID 20754308) is 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The canonical SMILES for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate is CC1CCOC1C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC(C[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
The InChIKey is JUWMUBAOWWYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O6Si2/c1-15-10-11-27-19(15)18-17(20(24)29-21(18)25)12-23(2,3)22(26)28-16(13-30(4,5)6)14-31(7,8)9/h15-19H,10-14H2,1-9H3.
What are the key properties of 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate?
1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate has a molecular weight of 470.76 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate is sourced from PubChem (CID 20754308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).