(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol

C17H36O2Si — CID 100961334

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
SMILESCCCCC/C=C/CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-14-16(18)15-19-20(5,6)17(2,3)4/h11-12,16,18H,7-10,13-15H2,1-6H3/b12-11+
InChIKeyAYGFPQZGIDCGMN-VAWYXSNFSA-N
MW300.56 g/mol
LogP5.29
Rot. Bonds10

About (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol

(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol (PubChem CID 100961334) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
PubChem CID100961334
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
SMILESCCCCC/C=C/CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-14-16(18)15-19-20(5,6)17(2,3)4/h11-12,16,18H,7-10,13-15H2,1-6H3/b12-11+
InChIKeyAYGFPQZGIDCGMN-VAWYXSNFSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.29
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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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
henicosa-6,15-dien-10-ol
CID 141379717
(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
CID 11179314
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(Z)-tetracos-6-en-10-ol
CID 168947717
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol (CID 100961334) is (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol is CCCCC/C=C/CCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol?
The InChIKey is AYGFPQZGIDCGMN-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-14-16(18)15-19-20(5,6)17(2,3)4/h11-12,16,18H,7-10,13-15H2,1-6H3/b12-11+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol?
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol has a molecular weight of 300.56 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol is sourced from PubChem (CID 100961334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).