(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol

C15H20O3Si — CID 11044053

IUPAC(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol
SMILESC[Si](C)(C)C#C/C=C\C#C[C@H]1O[C@H](CO)C=C[C@H]1O
InChIInChI=1S/C15H20O3Si/c1-19(2,3)11-7-5-4-6-8-15-14(17)10-9-13(12-16)18-15/h4-5,9-10,13-17H,12H2,1-3H3/b5-4-/t13-,14+,15+/m0/s1
InChIKeyKQVJQNDIWNMQRQ-XCWUXJFVSA-N
MW276.41 g/mol
LogP1.10
Rot. Bonds1

About (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11044053) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID11044053
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol
SMILESC[Si](C)(C)C#C/C=C\C#C[C@H]1O[C@H](CO)C=C[C@H]1O
InChIInChI=1S/C15H20O3Si/c1-19(2,3)11-7-5-4-6-8-15-14(17)10-9-13(12-16)18-15/h4-5,9-10,13-17H,12H2,1-3H3/b5-4-/t13-,14+,15+/m0/s1
InChIKeyKQVJQNDIWNMQRQ-XCWUXJFVSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 11276561
(2R,3S)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-3,6-dihydro-2H-pyran-3-ol
CID 10490522
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 14886216
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 53483101
1,5-Anhydro-2,3-dideoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-D-erythro-Hex-2-enitol
CID 57013861
2-(trimethylsilyloxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 57723919
trans-2-(Tert-butyldimethylsilanyloxymethyl)-3,6-dihydro-2h-pyran-3-ol
CID 57723922
(2R,3S)-2-(trimethylsilyloxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 57723948
2,6-Anhydro-7-O-[tert-butyl(dimethyl)silyl]-1,3,4-trideoxy-D-arabino-hept-3-enitol
CID 70871896
(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol
CID 71098728
[(2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 140863598
[5-(2-Trimethylsilylethynyl)-2,5-dihydrofuran-2-yl]methanol
CID 141311879

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol (CID 11044053) is (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol is C[Si](C)(C)C#C/C=C\C#C[C@H]1O[C@H](CO)C=C[C@H]1O.
What is the InChIKey of (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is KQVJQNDIWNMQRQ-XCWUXJFVSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-19(2,3)11-7-5-4-6-8-15-14(17)10-9-13(12-16)18-15/h4-5,9-10,13-17H,12H2,1-3H3/b5-4-/t13-,14+,15+/m0/s1.
What are the key properties of (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 276.41 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11044053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).