(1S,2R)-1-trimethylsilyloctane-1,2-diol

C11H26O2Si — CID 10242521

IUPAC(1S,2R)-1-trimethylsilyloctane-1,2-diol
SMILESCCCCCC[C@@H](O)[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C11H26O2Si/c1-5-6-7-8-9-10(12)11(13)14(2,3)4/h10-13H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyLDFWAYKIGYEWMY-MNOVXSKESA-N
MW218.41 g/mol
LogP2.56
Rot. Bonds7

About (1S,2R)-1-trimethylsilyloctane-1,2-diol

(1S,2R)-1-trimethylsilyloctane-1,2-diol (PubChem CID 10242521) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is (1S,2R)-1-trimethylsilyloctane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-trimethylsilyloctane-1,2-diol
PubChem CID10242521
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(1S,2R)-1-trimethylsilyloctane-1,2-diol
SMILESCCCCCC[C@@H](O)[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C11H26O2Si/c1-5-6-7-8-9-10(12)11(13)14(2,3)4/h10-13H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyLDFWAYKIGYEWMY-MNOVXSKESA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1,2-Octanediol
CID 14231
1,2-Dodecanediol
CID 92866
1,2-Decanediol
CID 79141
1,2-Tetradecanediol
CID 89436
2,3-Octanediol
CID 242928
(2R)-octane-1,2-diol
CID 6994435
Tridecane-3,4-diol
CID 21363193
(2S)-octane-1,2-diol
CID 6999933
Undecane-1,2-diol
CID 98035
1,2-Nonanediol
CID 240996
(2R,3S)-2,3-Octanediol
CID 11672685
(2S,3R)-Octane-2,3-diol
CID 13023782

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-trimethylsilyloctane-1,2-diol?
The IUPAC name of (1S,2R)-1-trimethylsilyloctane-1,2-diol (CID 10242521) is (1S,2R)-1-trimethylsilyloctane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-trimethylsilyloctane-1,2-diol?
The canonical SMILES for (1S,2R)-1-trimethylsilyloctane-1,2-diol is CCCCCC[C@@H](O)[C@@H](O)[Si](C)(C)C.
What is the InChIKey of (1S,2R)-1-trimethylsilyloctane-1,2-diol?
The InChIKey is LDFWAYKIGYEWMY-MNOVXSKESA-N. The full InChI is InChI=1S/C11H26O2Si/c1-5-6-7-8-9-10(12)11(13)14(2,3)4/h10-13H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-1-trimethylsilyloctane-1,2-diol?
(1S,2R)-1-trimethylsilyloctane-1,2-diol has a molecular weight of 218.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-trimethylsilyloctane-1,2-diol is sourced from PubChem (CID 10242521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).