(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one

C19H38O5Si2 — CID 135023102

IUPAC(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CO[C@]2(COC(=O)C2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si2/c1-17(2,3)25(7,8)23-14-12-22-19(11-15(20)21-13-19)16(14)24-26(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14?,16?,19-/m1/s1
InChIKeyJQIQGNZMDVEFTA-GSQSYGFSSA-N
MW402.68 g/mol
LogP4.48
Rot. Bonds4

About (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one

(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one (PubChem CID 135023102) has the molecular formula C19H38O5Si2 and a molecular weight of 402.68 g/mol. Its IUPAC name is (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
PubChem CID135023102
Molecular FormulaC19H38O5Si2
Molecular Weight402.68 g/mol
Exact Mass402.23
IUPAC Name(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CO[C@]2(COC(=O)C2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si2/c1-17(2,3)25(7,8)23-14-12-22-19(11-15(20)21-13-19)16(14)24-26(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14?,16?,19-/m1/s1
InChIKeyJQIQGNZMDVEFTA-GSQSYGFSSA-N
XLogP4.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(1R,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10981587
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
3-Deoxy-2C-(hydroxymethyl)erithro-pentonic acid lactone, TMS
CID 91749280
3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS
CID 91749281
(1R,4S,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10970753
methyl 2-[(2R,3S,4R)-3,4,5-triacetyloxy-2-[2-[2-[2-tri(propan-2-yl)silyloxyethoxy]ethoxy]ethoxymethyl]oxolan-2-yl]acetate
CID 170548820
2-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
CID 175807562
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one
CID 10493613
(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
CID 10496828
(2S,3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10525184

Frequently Asked Questions

What is the IUPAC name of (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one?
The IUPAC name of (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one (CID 135023102) is (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one.
What is the SMILES notation for (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one?
The canonical SMILES for (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one is CC(C)(C)[Si](C)(C)OC1CO[C@]2(COC(=O)C2)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one?
The InChIKey is JQIQGNZMDVEFTA-GSQSYGFSSA-N. The full InChI is InChI=1S/C19H38O5Si2/c1-17(2,3)25(7,8)23-14-12-22-19(11-15(20)21-13-19)16(14)24-26(9,10)18(4,5)6/h14,16H,11-13H2,1-10H3/t14?,16?,19-/m1/s1.
What are the key properties of (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one?
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one has a molecular weight of 402.68 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one is sourced from PubChem (CID 135023102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).