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

C14H26O5Si — CID 11335664

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
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/t10-,11+/m0/s1
InChIKeyCFGHJWVBRVPUQR-WDEREUQCSA-N
MW302.44 g/mol
LogP2.31
Rot. Bonds4

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

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one (PubChem CID 11335664) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
PubChem CID11335664
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
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/t10-,11+/m0/s1
InChIKeyCFGHJWVBRVPUQR-WDEREUQCSA-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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Related Compounds

(4S,5S)-5-(Pivaloyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11219495
(4S,5S)-5-(Acetyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11401953
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
CID 12927290
(2R,4R,5S)-4-t-butyldimethylsiloxymethyl-5-ethoxycarbonylmethyl-2-methyl-1,3-dioxane
CID 14621461
(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 60018512
(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(methoxymethyl)oxolan-2-one
CID 60018521
[3-(1,3-Dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 69778915
methyl 2-[(3aR,5S,6aR)-5-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 122606313
methyl 2-[(3aR,6aR)-5-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 122606317
ethyl 2-[(3aR,5S,6R,6aR)-5-(acetyloxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 10638081
4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10735209
4-[2-(2-Trimethylsilylethynyl)-1,3-dioxolan-2-yl]oxolan-2-one
CID 11118620

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one (CID 11335664) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The InChIKey is CFGHJWVBRVPUQR-WDEREUQCSA-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/t10-,11+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one?
(4S,5S)-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 (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 11335664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).