(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol

C18H32O4Si — CID 122393362

IUPAC(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15(19)14-10-11-17(21-13(2)3)22-16(14)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15+,16-,17+/m1/s1
InChIKeyUTZXRPDSWIVWTD-TWMKSMIVSA-N
MW340.54 g/mol
LogP3.32
Rot. Bonds6

About (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol

(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol (PubChem CID 122393362) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
PubChem CID122393362
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15(19)14-10-11-17(21-13(2)3)22-16(14)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15+,16-,17+/m1/s1
InChIKeyUTZXRPDSWIVWTD-TWMKSMIVSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol (CID 122393362) is (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol is C#C[C@H](O)[C@H]1C=C[C@@H](OC(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The InChIKey is UTZXRPDSWIVWTD-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-15(19)14-10-11-17(21-13(2)3)22-16(14)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15+,16-,17+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol has a molecular weight of 340.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 122393362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).