(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol

C11H20O4Si — CID 174092446

IUPAC(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol
SMILESC=CO[C@@H]1C=CO[C@H](O[SiH2]CCCC)[C@H]1O
InChIInChI=1S/C11H20O4Si/c1-3-5-8-16-15-11-10(12)9(13-4-2)6-7-14-11/h4,6-7,9-12H,2-3,5,8,16H2,1H3/t9-,10+,11-/m1/s1
InChIKeyROVSDEKJCHFLIM-OUAUKWLOSA-N
MW244.36 g/mol
LogP1.06
Rot. Bonds7

About (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol

(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol (PubChem CID 174092446) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol
PubChem CID174092446
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol
SMILESC=CO[C@@H]1C=CO[C@H](O[SiH2]CCCC)[C@H]1O
InChIInChI=1S/C11H20O4Si/c1-3-5-8-16-15-11-10(12)9(13-4-2)6-7-14-11/h4,6-7,9-12H,2-3,5,8,16H2,1H3/t9-,10+,11-/m1/s1
InChIKeyROVSDEKJCHFLIM-OUAUKWLOSA-N
XLogP1.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol (CID 174092446) is (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol is C=CO[C@@H]1C=CO[C@H](O[SiH2]CCCC)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is ROVSDEKJCHFLIM-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-3-5-8-16-15-11-10(12)9(13-4-2)6-7-14-11/h4,6-7,9-12H,2-3,5,8,16H2,1H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol?
(2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 244.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-butylsilyloxy-4-ethenoxy-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 174092446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).