(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol

C20H44O3Si — CID 134936231

IUPAC(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol
SMILESCC[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(O)[C@H](C)CO
InChIInChI=1S/C20H44O3Si/c1-11-16(8)20(18(10)19(22)17(9)12-21)23-24(13(2)3,14(4)5)15(6)7/h13-22H,11-12H2,1-10H3/t16-,17+,18+,19?,20-/m0/s1
InChIKeyZRSVSIBCSKLPEJ-APYTWINISA-N
MW360.66 g/mol
LogP5.22
Rot. Bonds11

About (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol

(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol (PubChem CID 134936231) has the molecular formula C20H44O3Si and a molecular weight of 360.66 g/mol. Its IUPAC name is (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol.

Molecular Properties

Compound Name(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol
PubChem CID134936231
Molecular FormulaC20H44O3Si
Molecular Weight360.66 g/mol
Exact Mass360.31
IUPAC Name(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol
SMILESCC[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(O)[C@H](C)CO
InChIInChI=1S/C20H44O3Si/c1-11-16(8)20(18(10)19(22)17(9)12-21)23-24(13(2)3,14(4)5)15(6)7/h13-22H,11-12H2,1-10H3/t16-,17+,18+,19?,20-/m0/s1
InChIKeyZRSVSIBCSKLPEJ-APYTWINISA-N
XLogP5.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 55.22
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,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol?
The IUPAC name of (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol (CID 134936231) is (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol.
What is the SMILES notation for (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol?
The canonical SMILES for (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol is CC[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(O)[C@H](C)CO.
What is the InChIKey of (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol?
The InChIKey is ZRSVSIBCSKLPEJ-APYTWINISA-N. The full InChI is InChI=1S/C20H44O3Si/c1-11-16(8)20(18(10)19(22)17(9)12-21)23-24(13(2)3,14(4)5)15(6)7/h13-22H,11-12H2,1-10H3/t16-,17+,18+,19?,20-/m0/s1.
What are the key properties of (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol?
(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol has a molecular weight of 360.66 g/mol, XLogP of 5.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol is sourced from PubChem (CID 134936231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).