propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate

C18H34O6Si — CID 16719808

IUPACpropan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate
SMILESC#C[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)OC(C)C)OCOC
InChIInChI=1S/C18H34O6Si/c1-10-18(20,12-23-25(8,9)17(4,5)6)15(22-13-21-7)11-16(19)24-14(2)3/h1,14-15,20H,11-13H2,2-9H3/t15-,18+/m1/s1
InChIKeyFIJVLUFVGOCYLL-QAPCUYQASA-N
MW374.55 g/mol
LogP2.70
Rot. Bonds10

About propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate

propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate (PubChem CID 16719808) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate.

Molecular Properties

Compound Namepropan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate
PubChem CID16719808
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Namepropan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate
SMILESC#C[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)OC(C)C)OCOC
InChIInChI=1S/C18H34O6Si/c1-10-18(20,12-23-25(8,9)17(4,5)6)15(22-13-21-7)11-16(19)24-14(2)3/h1,14-15,20H,11-13H2,2-9H3/t15-,18+/m1/s1
InChIKeyFIJVLUFVGOCYLL-QAPCUYQASA-N
XLogP2.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate?
The IUPAC name of propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate (CID 16719808) is propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate.
What is the SMILES notation for propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate?
The canonical SMILES for propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate is C#C[C@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)OC(C)C)OCOC.
What is the InChIKey of propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate?
The InChIKey is FIJVLUFVGOCYLL-QAPCUYQASA-N. The full InChI is InChI=1S/C18H34O6Si/c1-10-18(20,12-23-25(8,9)17(4,5)6)15(22-13-21-7)11-16(19)24-14(2)3/h1,14-15,20H,11-13H2,2-9H3/t15-,18+/m1/s1.
What are the key properties of propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate?
propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate has a molecular weight of 374.55 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-(methoxymethoxy)hex-5-ynoate is sourced from PubChem (CID 16719808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).