5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione

C15H26O6Si — CID 91247006

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione
SMILESCC1(C)OCC(C2OC(=O)C(=O)C2OCCC[Si](C)(C)C)O1
InChIInChI=1S/C15H26O6Si/c1-15(2)19-9-10(21-15)12-13(11(16)14(17)20-12)18-7-6-8-22(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyYRKAWXPBSCNTPW-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.75
Rot. Bonds6

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione (PubChem CID 91247006) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione
PubChem CID91247006
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione
SMILESCC1(C)OCC(C2OC(=O)C(=O)C2OCCC[Si](C)(C)C)O1
InChIInChI=1S/C15H26O6Si/c1-15(2)19-9-10(21-15)12-13(11(16)14(17)20-12)18-7-6-8-22(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyYRKAWXPBSCNTPW-UHFFFAOYSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3:5,6-Di-O-isopropylidene-L-gulonolactone
CID 568288
(3aR,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 135016864
2,3:5,6-Di-O-isopropylidene-D-mannono-1,4-lactone
CID 9943092
2,3:5,6-Di-O-isopropylidene-L-gulono-1,4-lactone
CID 10923201
(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11032561
(3aR,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 11174537
2,3:5,6-Di-O-isopropylidene-D-talonoic acid-1,4-lactone
CID 11311454
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 12728780
(4R,4'S,5S,5'R)-dimethyl 2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolane)]-5,5'-dicarboxylate
CID 68548147
(3aS,6R,6aS)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 14106432
(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 173787690
(R)-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)((4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
CID 10913678

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione (CID 91247006) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione is CC1(C)OCC(C2OC(=O)C(=O)C2OCCC[Si](C)(C)C)O1.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione?
The InChIKey is YRKAWXPBSCNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-15(2)19-9-10(21-15)12-13(11(16)14(17)20-12)18-7-6-8-22(3,4)5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione has a molecular weight of 330.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione is sourced from PubChem (CID 91247006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).