(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol

C18H36O3Si — CID 134979829

IUPAC(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol
SMILESCCC(O)/C=C\C(C)=C(/C)C(C)(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-16(19)12-11-14(2)15(3)18(7,20)13-21-22(8,9)17(4,5)6/h11-12,16,19-20H,10,13H2,1-9H3/b12-11-,15-14+
InChIKeyJHJRNZNPNLOIOZ-GFHFAWEGSA-N
MW328.57 g/mol
LogP4.42
Rot. Bonds7

About (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol

(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol (PubChem CID 134979829) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol.

Molecular Properties

Compound Name(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol
PubChem CID134979829
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol
SMILESCCC(O)/C=C\C(C)=C(/C)C(C)(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-16(19)12-11-14(2)15(3)18(7,20)13-21-22(8,9)17(4,5)6/h11-12,16,19-20H,10,13H2,1-9H3/b12-11-,15-14+
InChIKeyJHJRNZNPNLOIOZ-GFHFAWEGSA-N
XLogP4.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol?
The IUPAC name of (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol (CID 134979829) is (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol.
What is the SMILES notation for (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol?
The canonical SMILES for (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol is CCC(O)/C=C\C(C)=C(/C)C(C)(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol?
The InChIKey is JHJRNZNPNLOIOZ-GFHFAWEGSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-16(19)12-11-14(2)15(3)18(7,20)13-21-22(8,9)17(4,5)6/h11-12,16,19-20H,10,13H2,1-9H3/b12-11-,15-14+.
What are the key properties of (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol?
(3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol has a molecular weight of 328.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethylnona-3,5-diene-2,7-diol is sourced from PubChem (CID 134979829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).