[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

C18H34O6Si — CID 102276240

IUPAC[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO
InChIInChI=1S/C18H34O6Si/c1-11-13(24-25(9,10)16(2,3)4)15-14(12-19)22-17(5,20-7)18(6,21-8)23-15/h1,13-15,19H,12H2,2-10H3/t13-,14-,15-,17+,18+/m0/s1
InChIKeyLWSFNHHITNMCMV-OLEVXBPZSA-N
MW374.55 g/mol
LogP2.51
Rot. Bonds6

About [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (PubChem CID 102276240) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
PubChem CID102276240
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO
InChIInChI=1S/C18H34O6Si/c1-11-13(24-25(9,10)16(2,3)4)15-14(12-19)22-17(5,20-7)18(6,21-8)23-15/h1,13-15,19H,12H2,2-10H3/t13-,14-,15-,17+,18+/m0/s1
InChIKeyLWSFNHHITNMCMV-OLEVXBPZSA-N
XLogP2.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (CID 102276240) is [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO.
What is the InChIKey of [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The InChIKey is LWSFNHHITNMCMV-OLEVXBPZSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-11-13(24-25(9,10)16(2,3)4)15-14(12-19)22-17(5,20-7)18(6,21-8)23-15/h1,13-15,19H,12H2,2-10H3/t13-,14-,15-,17+,18+/m0/s1.
What are the key properties of [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
[(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol has a molecular weight of 374.55 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R,6R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 102276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).