5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one

C14H26O5Si — CID 12927290

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(=O)CC1C1OCCO1
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)18-9-11-10(8-12(15)19-11)13-16-6-7-17-13/h10-11,13H,6-9H2,1-5H3
InChIKeyCFGHJWVBRVPUQR-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.31
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one (PubChem CID 12927290) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
PubChem CID12927290
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(=O)CC1C1OCCO1
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)18-9-11-10(8-12(15)19-11)13-16-6-7-17-13/h10-11,13H,6-9H2,1-5H3
InChIKeyCFGHJWVBRVPUQR-UHFFFAOYSA-N
XLogP2.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.31
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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one (CID 12927290) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one is CC(C)(C)[Si](C)(C)OCC1OC(=O)CC1C1OCCO1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The InChIKey is CFGHJWVBRVPUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)18-9-11-10(8-12(15)19-11)13-16-6-7-17-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one has a molecular weight of 302.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 12927290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).