(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one

C21H38O6Si — CID 10787966

IUPAC(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H]1OC(=O)[C@H](C)[C@@H]1OC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C21H38O6Si/c1-6-28(7-2,8-3)27-18(19-17(23-5)15(4)20(22)25-19)16-14-24-21(26-16)12-10-9-11-13-21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeySXKLFFQVRFWGGY-UJWQCDCRSA-N
MW414.62 g/mol
LogP4.03
Rot. Bonds8

About (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one

(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one (PubChem CID 10787966) has the molecular formula C21H38O6Si and a molecular weight of 414.62 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
PubChem CID10787966
Molecular FormulaC21H38O6Si
Molecular Weight414.62 g/mol
Exact Mass414.24
IUPAC Name(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H]1OC(=O)[C@H](C)[C@@H]1OC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C21H38O6Si/c1-6-28(7-2,8-3)27-18(19-17(23-5)15(4)20(22)25-19)16-14-24-21(26-16)12-10-9-11-13-21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeySXKLFFQVRFWGGY-UJWQCDCRSA-N
XLogP4.03
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one with MolForge

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Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
methyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 134971262
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
methyl (3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]hex-5-ynoate
CID 11729645
methyl (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate
CID 173972263
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 175882106
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-(1-ethoxyethoxy)methyl]-4-methoxy-3-methyloxolan-2-one
CID 10643024
4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10735209
(5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10782678

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one (CID 10787966) is (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one is CC[Si](CC)(CC)O[C@@H]([C@@H]1OC(=O)[C@H](C)[C@@H]1OC)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one?
The InChIKey is SXKLFFQVRFWGGY-UJWQCDCRSA-N. The full InChI is InChI=1S/C21H38O6Si/c1-6-28(7-2,8-3)27-18(19-17(23-5)15(4)20(22)25-19)16-14-24-21(26-16)12-10-9-11-13-21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one?
(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one has a molecular weight of 414.62 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one is sourced from PubChem (CID 10787966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).