(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one

C20H36O3Si — CID 101152834

IUPAC(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one
SMILESC#C[C@@H](C)[C@H]1C[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O1
InChIInChI=1S/C20H36O3Si/c1-9-17(8)19-12-18(13-20(21)23-19)10-11-22-24(14(2)3,15(4)5)16(6)7/h1,14-19H,10-13H2,2-8H3/t17-,18-,19-/m1/s1
InChIKeyBPSNIQHPJMJRLX-GUDVDZBRSA-N
MW352.59 g/mol
LogP5.16
Rot. Bonds8

About (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one

(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one (PubChem CID 101152834) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one
PubChem CID101152834
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one
SMILESC#C[C@@H](C)[C@H]1C[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O1
InChIInChI=1S/C20H36O3Si/c1-9-17(8)19-12-18(13-20(21)23-19)10-11-22-24(14(2)3,15(4)5)16(6)7/h1,14-19H,10-13H2,2-8H3/t17-,18-,19-/m1/s1
InChIKeyBPSNIQHPJMJRLX-GUDVDZBRSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one?
The IUPAC name of (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one (CID 101152834) is (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one.
What is the SMILES notation for (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one?
The canonical SMILES for (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one is C#C[C@@H](C)[C@H]1C[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)O1.
What is the InChIKey of (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one?
The InChIKey is BPSNIQHPJMJRLX-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-9-17(8)19-12-18(13-20(21)23-19)10-11-22-24(14(2)3,15(4)5)16(6)7/h1,14-19H,10-13H2,2-8H3/t17-,18-,19-/m1/s1.
What are the key properties of (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one?
(4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one has a molecular weight of 352.59 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[(2R)-but-3-yn-2-yl]-4-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-one is sourced from PubChem (CID 101152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).