(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid

C17H34O3Si — CID 87313123

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-15-13-11-9-7-6-8-10-12-14-16(18)19/h12,14H,6-11,13,15H2,1-5H3,(H,18,19)/b14-12+
InChIKeyDCUKTQWMFWAPSM-WYMLVPIESA-N
MW314.54 g/mol
LogP5.38
Rot. Bonds11

About (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid

(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid (PubChem CID 87313123) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
PubChem CID87313123
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-15-13-11-9-7-6-8-10-12-14-16(18)19/h12,14H,6-11,13,15H2,1-5H3,(H,18,19)/b14-12+
InChIKeyDCUKTQWMFWAPSM-WYMLVPIESA-N
XLogP5.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.38
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)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202

Frequently Asked Questions

What is the IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid (CID 87313123) is (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid is CC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid?
The InChIKey is DCUKTQWMFWAPSM-WYMLVPIESA-N. The full InChI is InChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-15-13-11-9-7-6-8-10-12-14-16(18)19/h12,14H,6-11,13,15H2,1-5H3,(H,18,19)/b14-12+.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid?
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid has a molecular weight of 314.54 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid is sourced from PubChem (CID 87313123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).