4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C16H28O5Si — CID 3702841

IUPAC4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC(C)[Si](OCC1OC=CC2OC(=O)OC21)(C(C)C)C(C)C
InChIInChI=1S/C16H28O5Si/c1-10(2)22(11(3)4,12(5)6)19-9-14-15-13(7-8-18-14)20-16(17)21-15/h7-8,10-15H,9H2,1-6H3
InChIKeyCMJIHDNAPZTYCJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.99
Rot. Bonds6

About 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 3702841) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

Compound Name4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
PubChem CID3702841
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC(C)[Si](OCC1OC=CC2OC(=O)OC21)(C(C)C)C(C)C
InChIInChI=1S/C16H28O5Si/c1-10(2)22(11(3)4,12(5)6)19-9-14-15-13(7-8-18-14)20-16(17)21-15/h7-8,10-15H,9H2,1-6H3
InChIKeyCMJIHDNAPZTYCJ-UHFFFAOYSA-N
XLogP3.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The IUPAC name of 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 3702841) is 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.
What is the SMILES notation for 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The canonical SMILES for 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CC(C)[Si](OCC1OC=CC2OC(=O)OC21)(C(C)C)C(C)C.
What is the InChIKey of 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The InChIKey is CMJIHDNAPZTYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-10(2)22(11(3)4,12(5)6)19-9-14-15-13(7-8-18-14)20-16(17)21-15/h7-8,10-15H,9H2,1-6H3.
What are the key properties of 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 328.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tri(propan-2-yl)silyloxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 3702841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).