(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol

C13H28O3Si — CID 53255144

IUPAC(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)C/C=C\CO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-12(15)8-6-7-10-14/h6-7,12,14-15H,8-11H2,1-5H3/b7-6-/t12-/m1/s1
InChIKeyWQFKRUVZURXVLE-ZHRWSRJISA-N
MW260.45 g/mol
LogP2.70
Rot. Bonds7

About (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol

(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol (PubChem CID 53255144) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
PubChem CID53255144
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)C/C=C\CO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-12(15)8-6-7-10-14/h6-7,12,14-15H,8-11H2,1-5H3/b7-6-/t12-/m1/s1
InChIKeyWQFKRUVZURXVLE-ZHRWSRJISA-N
XLogP2.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
CID 132520727
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
CID 10903884

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol?
The IUPAC name of (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol (CID 53255144) is (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol.
What is the SMILES notation for (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol?
The canonical SMILES for (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol is CC(C)(C)[Si](C)(C)OCC[C@H](O)C/C=C\CO.
What is the InChIKey of (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol?
The InChIKey is WQFKRUVZURXVLE-ZHRWSRJISA-N. The full InChI is InChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-12(15)8-6-7-10-14/h6-7,12,14-15H,8-11H2,1-5H3/b7-6-/t12-/m1/s1.
What are the key properties of (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol?
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol has a molecular weight of 260.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol is sourced from PubChem (CID 53255144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).