(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal

C14H26O2Si — CID 101493000

IUPAC(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
SMILESCC[C@H](/C=C/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/b10-8-,11-9+/t13-/m1/s1
InChIKeyURWPGFGMOKTQRI-VAXKBXNHSA-N
MW254.45 g/mol
LogP4.10
Rot. Bonds6

About (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal

(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal (PubChem CID 101493000) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
PubChem CID101493000
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
SMILESCC[C@H](/C=C/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/b10-8-,11-9+/t13-/m1/s1
InChIKeyURWPGFGMOKTQRI-VAXKBXNHSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The IUPAC name of (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal (CID 101493000) is (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal.
What is the SMILES notation for (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The canonical SMILES for (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal is CC[C@H](/C=C/C=C\C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The InChIKey is URWPGFGMOKTQRI-VAXKBXNHSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-13H,7H2,1-6H3/b10-8-,11-9+/t13-/m1/s1.
What are the key properties of (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal has a molecular weight of 254.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal is sourced from PubChem (CID 101493000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).