(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol

C14H34O3Si2 — CID 11954591

IUPAC(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol
SMILESC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H34O3Si2/c1-11(16-18(5,6)7)12(15)13(14(2,3)4)17-19(8,9)10/h11-13,15H,1-10H3/t11-,12+,13+/m0/s1
InChIKeyRSGOWXLJJIBOSY-YNEHKIRRSA-N
MW306.60 g/mol
LogP3.85
Rot. Bonds6

About (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol

(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol (PubChem CID 11954591) has the molecular formula C14H34O3Si2 and a molecular weight of 306.60 g/mol. Its IUPAC name is (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol
PubChem CID11954591
Molecular FormulaC14H34O3Si2
Molecular Weight306.60 g/mol
Exact Mass306.20
IUPAC Name(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol
SMILESC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H34O3Si2/c1-11(16-18(5,6)7)12(15)13(14(2,3)4)17-19(8,9)10/h11-13,15H,1-10H3/t11-,12+,13+/m0/s1
InChIKeyRSGOWXLJJIBOSY-YNEHKIRRSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
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 (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol?
The IUPAC name of (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol (CID 11954591) is (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol.
What is the SMILES notation for (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol?
The canonical SMILES for (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol is C[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol?
The InChIKey is RSGOWXLJJIBOSY-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H34O3Si2/c1-11(16-18(5,6)7)12(15)13(14(2,3)4)17-19(8,9)10/h11-13,15H,1-10H3/t11-,12+,13+/m0/s1.
What are the key properties of (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol?
(2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol has a molecular weight of 306.60 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5,5-dimethyl-2,4-bis(trimethylsilyloxy)hexan-3-ol is sourced from PubChem (CID 11954591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).