(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one

C21H40O4Si — CID 11846596

IUPAC(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
SMILESCC[C@H](/C=C(/C)[C@H]1C[C@@H](O)CC(=O)O1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H40O4Si/c1-9-18(10-17(8)20-11-19(22)12-21(23)25-20)13-24-26(14(2)3,15(4)5)16(6)7/h10,14-16,18-20,22H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20-/m1/s1
InChIKeyJFZFKAZHVIQXMO-JNWCFWDOSA-N
MW384.63 g/mol
LogP5.22
Rot. Bonds9

About (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one

(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one (PubChem CID 11846596) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one.

Molecular Properties

Compound Name(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
PubChem CID11846596
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
SMILESCC[C@H](/C=C(/C)[C@H]1C[C@@H](O)CC(=O)O1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H40O4Si/c1-9-18(10-17(8)20-11-19(22)12-21(23)25-20)13-24-26(14(2)3,15(4)5)16(6)7/h10,14-16,18-20,22H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20-/m1/s1
InChIKeyJFZFKAZHVIQXMO-JNWCFWDOSA-N
XLogP5.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.22
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'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?
The IUPAC name of (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one (CID 11846596) is (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one.
What is the SMILES notation for (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?
The canonical SMILES for (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one is CC[C@H](/C=C(/C)[C@H]1C[C@@H](O)CC(=O)O1)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?
The InChIKey is JFZFKAZHVIQXMO-JNWCFWDOSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-9-18(10-17(8)20-11-19(22)12-21(23)25-20)13-24-26(14(2)3,15(4)5)16(6)7/h10,14-16,18-20,22H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20-/m1/s1.
What are the key properties of (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?
(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one has a molecular weight of 384.63 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one is sourced from PubChem (CID 11846596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).