(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol

C13H30O3Si — CID 11658979

IUPAC(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol
SMILESC[C@@H](O)C[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyYHFAFGFLWLAFDK-VXGBXAGGSA-N
MW262.47 g/mol
LogP2.92
Rot. Bonds7

About (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol

(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol (PubChem CID 11658979) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol.

Molecular Properties

Compound Name(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol
PubChem CID11658979
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol
SMILESC[C@@H](O)C[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyYHFAFGFLWLAFDK-VXGBXAGGSA-N
XLogP2.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol?
The IUPAC name of (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol (CID 11658979) is (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol.
What is the SMILES notation for (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol?
The canonical SMILES for (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol is C[C@@H](O)C[C@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol?
The InChIKey is YHFAFGFLWLAFDK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol?
(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol has a molecular weight of 262.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol is sourced from PubChem (CID 11658979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).