(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid

C16H34O4Si — CID 24767664

IUPAC(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
SMILESC[C@H](CCO)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C16H34O4Si/c1-12(10-11-17)8-9-14(13(2)15(18)19)20-21(6,7)16(3,4)5/h12-14,17H,8-11H2,1-7H3,(H,18,19)/t12-,13+,14-/m0/s1
InChIKeyLDOIADWDPGWSID-MJBXVCDLSA-N
MW318.53 g/mol
LogP3.90
Rot. Bonds9

About (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid

(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid (PubChem CID 24767664) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid.

Molecular Properties

Compound Name(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
PubChem CID24767664
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
SMILESC[C@H](CCO)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C16H34O4Si/c1-12(10-11-17)8-9-14(13(2)15(18)19)20-21(6,7)16(3,4)5/h12-14,17H,8-11H2,1-7H3,(H,18,19)/t12-,13+,14-/m0/s1
InChIKeyLDOIADWDPGWSID-MJBXVCDLSA-N
XLogP3.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid?
The IUPAC name of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid (CID 24767664) is (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid.
What is the SMILES notation for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid?
The canonical SMILES for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid is C[C@H](CCO)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid?
The InChIKey is LDOIADWDPGWSID-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-12(10-11-17)8-9-14(13(2)15(18)19)20-21(6,7)16(3,4)5/h12-14,17H,8-11H2,1-7H3,(H,18,19)/t12-,13+,14-/m0/s1.
What are the key properties of (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid?
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid has a molecular weight of 318.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid is sourced from PubChem (CID 24767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).