(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid

C19H38O5Si — CID 67148507

IUPAC(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
SMILESC[C@H]1[C@H]([C@@H](C)C(=O)O)OC(C)(C)O[C@@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-13-15(11-10-12-22-25(8,9)18(3,4)5)23-19(6,7)24-16(13)14(2)17(20)21/h13-16H,10-12H2,1-9H3,(H,20,21)/t13-,14-,15-,16-/m1/s1
InChIKeyLGDCTWNIPNWRKP-KLHDSHLOSA-N
MW374.59 g/mol
LogP4.67
Rot. Bonds7

About (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid

(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid (PubChem CID 67148507) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
PubChem CID67148507
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
SMILESC[C@H]1[C@H]([C@@H](C)C(=O)O)OC(C)(C)O[C@@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-13-15(11-10-12-22-25(8,9)18(3,4)5)23-19(6,7)24-16(13)14(2)17(20)21/h13-16H,10-12H2,1-9H3,(H,20,21)/t13-,14-,15-,16-/m1/s1
InChIKeyLGDCTWNIPNWRKP-KLHDSHLOSA-N
XLogP4.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid?
The IUPAC name of (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid (CID 67148507) is (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid is C[C@H]1[C@H]([C@@H](C)C(=O)O)OC(C)(C)O[C@@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid?
The InChIKey is LGDCTWNIPNWRKP-KLHDSHLOSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-13-15(11-10-12-22-25(8,9)18(3,4)5)23-19(6,7)24-16(13)14(2)17(20)21/h13-16H,10-12H2,1-9H3,(H,20,21)/t13-,14-,15-,16-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid?
(2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid has a molecular weight of 374.59 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid is sourced from PubChem (CID 67148507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).