(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid

C18H36O3Si — CID 10520355

IUPAC(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid
SMILESCCCCCCC(C/C=C/C(=O)O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-7-8-9-10-12-16(13-11-14-17(19)20)15-21-22(5,6)18(2,3)4/h11,14,16H,7-10,12-13,15H2,1-6H3,(H,19,20)/b14-11+
InChIKeyIENQAJJLXFMSGU-SDNWHVSQSA-N
MW328.57 g/mol
LogP5.63
Rot. Bonds11

About (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid

(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid (PubChem CID 10520355) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid.

Molecular Properties

Compound Name(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid
PubChem CID10520355
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid
SMILESCCCCCCC(C/C=C/C(=O)O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-7-8-9-10-12-16(13-11-14-17(19)20)15-21-22(5,6)18(2,3)4/h11,14,16H,7-10,12-13,15H2,1-6H3,(H,19,20)/b14-11+
InChIKeyIENQAJJLXFMSGU-SDNWHVSQSA-N
XLogP5.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.63
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-[(1R,2S)-2-[(E,6S)-6-hydroxyhept-1-enyl]cyclopentyl]-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 53362124
ethyl (E,4R,8S)-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enoate
CID 56957601
methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate
CID 134970369
(E)-10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid
CID 11162393
2-[4-[Tri(propan-2-yl)silyloxymethyl]cyclohexylidene]acetic acid
CID 22184674
(E)-9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid
CID 24881556
(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis(tert-Butyldimethylsilyloxy)-21-hydroxy-6,12,14,16,20,22-hexamethylhexacosa-2,4,10,23,25-pentaenoic acid
CID 66572241
9-[Tert-butyl(dimethyl)silyl]oxynon-2-enoic acid
CID 74343545
10-[Tert-butyl(dimethyl)silyl]oxydec-2-enoic acid
CID 85420672
(2Z,4E,6S,7S,9S,10Z,12S,13R,14R,16S,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis(tert-Butyldimethylsilyloxy)-21-hydroxy-6,12,14,16,20,22-hexamethylhexacosa-2,4,10,23,25-pentaenoic acid
CID 86622039
(2Z,4E,6S,7S,9S,10Z,12S,13R,14R,16S,19S,20R,21S,22S,23Z)-7,9,13,19-tetrakis(tert-Butyldimethylsilyloxy)-21-hydroxy-6,12,14,16,20,22-hexamethylhexacosa-2,4,10,23,25-pentaenoic acid
CID 86760601
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123

Frequently Asked Questions

What is the IUPAC name of (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid?
The IUPAC name of (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid (CID 10520355) is (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid.
What is the SMILES notation for (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid?
The canonical SMILES for (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid is CCCCCCC(C/C=C/C(=O)O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid?
The InChIKey is IENQAJJLXFMSGU-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-7-8-9-10-12-16(13-11-14-17(19)20)15-21-22(5,6)18(2,3)4/h11,14,16H,7-10,12-13,15H2,1-6H3,(H,19,20)/b14-11+.
What are the key properties of (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid?
(E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid has a molecular weight of 328.57 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]undec-2-enoic acid is sourced from PubChem (CID 10520355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).