1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol

C28H56O3Si — CID 154344626

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol
SMILESCCCCCC=CCC=CCCCCCCCCC(O)COCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)26-30-24-25-31-32(5,6)28(2,3)4/h11-12,14-15,27,29H,7-10,13,16-26H2,1-6H3
InChIKeyGGSXASGLKFHMQD-UHFFFAOYSA-N
MW468.84 g/mol
LogP8.59
Rot. Bonds21

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol

1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol (PubChem CID 154344626) has the molecular formula C28H56O3Si and a molecular weight of 468.84 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol
PubChem CID154344626
Molecular FormulaC28H56O3Si
Molecular Weight468.84 g/mol
Exact Mass468.40
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol
SMILESCCCCCC=CCC=CCCCCCCCCC(O)COCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)26-30-24-25-31-32(5,6)28(2,3)4/h11-12,14-15,27,29H,7-10,13,16-26H2,1-6H3
InChIKeyGGSXASGLKFHMQD-UHFFFAOYSA-N
XLogP8.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.84
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol (CID 154344626) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol is CCCCCC=CCC=CCCCCCCCCC(O)COCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol?
The InChIKey is GGSXASGLKFHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)26-30-24-25-31-32(5,6)28(2,3)4/h11-12,14-15,27,29H,7-10,13,16-26H2,1-6H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol?
1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol has a molecular weight of 468.84 g/mol, XLogP of 8.59, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]icosa-11,14-dien-2-ol is sourced from PubChem (CID 154344626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).