(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol

C14H32O3Si — CID 10978745

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
SMILESCCCCC[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-7-8-9-10-12(15)13(16)11-17-18(5,6)14(2,3)4/h12-13,15-16H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyJJWHQRDKTORFAU-CHWSQXEVSA-N
MW276.49 g/mol
LogP3.31
Rot. Bonds8

About (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol (PubChem CID 10978745) has the molecular formula C14H32O3Si and a molecular weight of 276.49 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
PubChem CID10978745
Molecular FormulaC14H32O3Si
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
SMILESCCCCC[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-7-8-9-10-12(15)13(16)11-17-18(5,6)14(2,3)4/h12-13,15-16H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyJJWHQRDKTORFAU-CHWSQXEVSA-N
XLogP3.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
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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Related Compounds

1-Octanol, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11043515
10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
9-((tert-Butyldimethylsilyl)oxy)nonan-1-ol
CID 14521701
(R)-1-((tert-Butyldimethylsilyl)oxy)-3-(octadecyloxy)propan-2-ol
CID 10790085
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol
CID 58012741
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol
CID 58012751
16-[Tert-butyl(dimethyl)silyl]oxyhexadecan-1-ol
CID 71762408
12-[Tert-butyl(dimethyl)silyl]oxydodecan-2-ol
CID 90302960
(1S,2R)-1-trimethylsilyloctane-1,2-diol
CID 10242521
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol (CID 10978745) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol is CCCCC[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol?
The InChIKey is JJWHQRDKTORFAU-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-7-8-9-10-12(15)13(16)11-17-18(5,6)14(2,3)4/h12-13,15-16H,7-11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol has a molecular weight of 276.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol is sourced from PubChem (CID 10978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).