2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid

C26H48O5Si — CID 71681606

IUPAC2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
SMILESC=CCC[C@H]1CCC[C@@H](C[C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O2)O1
InChIInChI=1S/C26H48O5Si/c1-8-9-11-21-12-10-13-22(29-21)14-23-15-25(16-24(30-23)17-26(27)28)31-32(18(2)3,19(4)5)20(6)7/h8,18-25H,1,9-17H2,2-7H3,(H,27,28)/t21-,22-,23-,24-,25+/m0/s1
InChIKeyRZBLOPISZCXUEY-KFEALIJWSA-N
MW468.75 g/mol
LogP6.86
Rot. Bonds12

About 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid

2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid (PubChem CID 71681606) has the molecular formula C26H48O5Si and a molecular weight of 468.75 g/mol. Its IUPAC name is 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
PubChem CID71681606
Molecular FormulaC26H48O5Si
Molecular Weight468.75 g/mol
Exact Mass468.33
IUPAC Name2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
SMILESC=CCC[C@H]1CCC[C@@H](C[C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O2)O1
InChIInChI=1S/C26H48O5Si/c1-8-9-11-21-12-10-13-22(29-21)14-23-15-25(16-24(30-23)17-26(27)28)31-32(18(2)3,19(4)5)20(6)7/h8,18-25H,1,9-17H2,2-7H3,(H,27,28)/t21-,22-,23-,24-,25+/m0/s1
InChIKeyRZBLOPISZCXUEY-KFEALIJWSA-N
XLogP6.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(2S)-pent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 44254187
(1S,5R,7S)-7-((S)-2-((Triethylsilyl)oxy)pent-4-en-1yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 71489709
(4S,6S)-4-hydroxy-6-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]oxan-2-one
CID 134918877
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612
(3R)-5-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoxy]-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 89570647
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate;ethyl 2-[(4S,6S)-2,2-ditert-butyl-6-(2-hydroxyethyl)-1,3,2-dioxasilinan-4-yl]acetate
CID 157580494
methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11143542
methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
CID 71489977
methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
CID 71489978
[(1E,3R)-1-iodohexa-1,5-dien-3-yl] 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 71681607
(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(2S)-pent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 101484701
3-[Tert-butyl(dimethyl)silyl]oxy-5-oxo-5-undec-10-enoxypentanoic acid
CID 132941023

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid (CID 71681606) is 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid is C=CCC[C@H]1CCC[C@@H](C[C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O2)O1.
What is the InChIKey of 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The InChIKey is RZBLOPISZCXUEY-KFEALIJWSA-N. The full InChI is InChI=1S/C26H48O5Si/c1-8-9-11-21-12-10-13-22(29-21)14-23-15-25(16-24(30-23)17-26(27)28)31-32(18(2)3,19(4)5)20(6)7/h8,18-25H,1,9-17H2,2-7H3,(H,27,28)/t21-,22-,23-,24-,25+/m0/s1.
What are the key properties of 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid has a molecular weight of 468.75 g/mol, XLogP of 6.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,6S)-6-[[(2S,6R)-6-but-3-enyloxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid is sourced from PubChem (CID 71681606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).