(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one

C16H34O3Si — CID 10494606

IUPAC(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one
SMILESCCCCCC[C@@H]([C@H](C)C(=O)C[C@H](C)O)[Si](C)(C)OC
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-11-16(20(5,6)19-4)14(3)15(18)12-13(2)17/h13-14,16-17H,7-12H2,1-6H3/t13-,14+,16-/m0/s1
InChIKeySVKAOUZTWVYJDY-LZWOXQAQSA-N
MW302.53 g/mol
LogP4.15
Rot. Bonds11

About (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one

(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one (PubChem CID 10494606) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one.

Molecular Properties

Compound Name(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one
PubChem CID10494606
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one
SMILESCCCCCC[C@@H]([C@H](C)C(=O)C[C@H](C)O)[Si](C)(C)OC
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-11-16(20(5,6)19-4)14(3)15(18)12-13(2)17/h13-14,16-17H,7-12H2,1-6H3/t13-,14+,16-/m0/s1
InChIKeySVKAOUZTWVYJDY-LZWOXQAQSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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': '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 (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one?
The IUPAC name of (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one (CID 10494606) is (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one.
What is the SMILES notation for (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one?
The canonical SMILES for (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one is CCCCCC[C@@H]([C@H](C)C(=O)C[C@H](C)O)[Si](C)(C)OC.
What is the InChIKey of (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one?
The InChIKey is SVKAOUZTWVYJDY-LZWOXQAQSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-7-8-9-10-11-16(20(5,6)19-4)14(3)15(18)12-13(2)17/h13-14,16-17H,7-12H2,1-6H3/t13-,14+,16-/m0/s1.
What are the key properties of (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one?
(2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one has a molecular weight of 302.53 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6S)-2-hydroxy-6-[methoxy(dimethyl)silyl]-5-methyldodecan-4-one is sourced from PubChem (CID 10494606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).