(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal

C16H34O3Si — CID 135054907

IUPAC(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)C[C@H](O)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)9-15(18)16(10-17)19-20(12(3)4,13(5)6)14(7)8/h10-16,18H,9H2,1-8H3/t15-,16+/m0/s1
InChIKeyIJXQOJLZVHDROI-JKSUJKDBSA-N
MW302.53 g/mol
LogP4.15
Rot. Bonds9

About (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal

(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal (PubChem CID 135054907) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal
PubChem CID135054907
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)C[C@H](O)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)9-15(18)16(10-17)19-20(12(3)4,13(5)6)14(7)8/h10-16,18H,9H2,1-8H3/t15-,16+/m0/s1
InChIKeyIJXQOJLZVHDROI-JKSUJKDBSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal (CID 135054907) is (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal is CC(C)C[C@H](O)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is IJXQOJLZVHDROI-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-11(2)9-15(18)16(10-17)19-20(12(3)4,13(5)6)14(7)8/h10-16,18H,9H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal?
(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 302.53 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 135054907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).