(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol

C14H28O2Si — CID 134972968

IUPAC(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=C/CO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,15H,9,11-13H2,1-5H3/b7-6+,10-8+
InChIKeyZVTRHCWAFQJFAW-LQPGMRSMSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds7

About (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol

(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol (PubChem CID 134972968) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol
PubChem CID134972968
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=C/CO
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,15H,9,11-13H2,1-5H3/b7-6+,10-8+
InChIKeyZVTRHCWAFQJFAW-LQPGMRSMSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol (CID 134972968) is (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol is CC(C)(C)[Si](C)(C)OCCC/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol?
The InChIKey is ZVTRHCWAFQJFAW-LQPGMRSMSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,15H,9,11-13H2,1-5H3/b7-6+,10-8+.
What are the key properties of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol?
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol is sourced from PubChem (CID 134972968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).