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

C15H28O6Si — CID 10496828

IUPAC(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCOCO[C@@H]1CO[C@]2(COC(=O)C2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O6Si/c1-14(2,3)22(5,6)21-13-11(19-10-17-4)8-20-15(13)7-12(16)18-9-15/h11,13H,7-10H2,1-6H3/t11-,13+,15-/m1/s1
InChIKeyFAZQPEVKVAKVOD-OSAQELSMSA-N
MW332.47 g/mol
LogP2.08
Rot. Bonds5

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

(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one (PubChem CID 10496828) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
PubChem CID10496828
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCOCO[C@@H]1CO[C@]2(COC(=O)C2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O6Si/c1-14(2,3)22(5,6)21-13-11(19-10-17-4)8-20-15(13)7-12(16)18-9-15/h11,13H,7-10H2,1-6H3/t11-,13+,15-/m1/s1
InChIKeyFAZQPEVKVAKVOD-OSAQELSMSA-N
XLogP2.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 10783807
(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
CID 18657608
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 58858620
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371732
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
3-(1,1,2-Triethoxy-3-silylpropyl)oxolane-2,5-dione
CID 173389206
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
CID 173611563
3-(1,1,2-Trimethoxy-3-silylpropyl)oxolane-2,5-dione
CID 174500869
2-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
CID 175807562

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one?
The IUPAC name of (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one (CID 10496828) is (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one.
What is the SMILES notation for (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one?
The canonical SMILES for (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one is COCO[C@@H]1CO[C@]2(COC(=O)C2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one?
The InChIKey is FAZQPEVKVAKVOD-OSAQELSMSA-N. The full InChI is InChI=1S/C15H28O6Si/c1-14(2,3)22(5,6)21-13-11(19-10-17-4)8-20-15(13)7-12(16)18-9-15/h11,13H,7-10H2,1-6H3/t11-,13+,15-/m1/s1.
What are the key properties of (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one?
(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one has a molecular weight of 332.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one is sourced from PubChem (CID 10496828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).