(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol

C14H28O2Si — CID 11736974

IUPAC(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+
InChIKeyUHPSIIGFWGOHAE-IJQSQKGZSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds6

About (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol

(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol (PubChem CID 11736974) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
PubChem CID11736974
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+
InChIKeyUHPSIIGFWGOHAE-IJQSQKGZSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.89
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol (CID 11736974) is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol is CC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The InChIKey is UHPSIIGFWGOHAE-IJQSQKGZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+.
What are the key properties of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol is sourced from PubChem (CID 11736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).