(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol

C19H40O2Si2 — CID 134832873

IUPAC(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
SMILESC=C(C[Si](C)(C)C)C(O)/C=C(\C)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-9-23(10-2,11-3)21-14-12-13-17(4)15-19(20)18(5)16-22(6,7)8/h15,19-20H,5,9-14,16H2,1-4,6-8H3/b17-15+
InChIKeyPHLKILKLLJRRCO-BMRADRMJSA-N
MW356.70 g/mol
LogP5.99
Rot. Bonds12

About (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol (PubChem CID 134832873) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol.

Molecular Properties

Compound Name(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
PubChem CID134832873
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Name(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
SMILESC=C(C[Si](C)(C)C)C(O)/C=C(\C)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-9-23(10-2,11-3)21-14-12-13-17(4)15-19(20)18(5)16-22(6,7)8/h15,19-20H,5,9-14,16H2,1-4,6-8H3/b17-15+
InChIKeyPHLKILKLLJRRCO-BMRADRMJSA-N
XLogP5.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol?
The IUPAC name of (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol (CID 134832873) is (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol.
What is the SMILES notation for (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol?
The canonical SMILES for (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol is C=C(C[Si](C)(C)C)C(O)/C=C(\C)CCCO[Si](CC)(CC)CC.
What is the InChIKey of (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol?
The InChIKey is PHLKILKLLJRRCO-BMRADRMJSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-9-23(10-2,11-3)21-14-12-13-17(4)15-19(20)18(5)16-22(6,7)8/h15,19-20H,5,9-14,16H2,1-4,6-8H3/b17-15+.
What are the key properties of (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol?
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol has a molecular weight of 356.70 g/mol, XLogP of 5.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol is sourced from PubChem (CID 134832873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).