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

C11H22O3Si — CID 87677044

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h6,8H,7,9H2,1-5H3,(H,12,13)/b8-6+
InChIKeyDNUWITODPGFPGL-SOFGYWHQSA-N
MW230.38 g/mol
LogP3.04
Rot. Bonds5

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

(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid (PubChem CID 87677044) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
PubChem CID87677044
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h6,8H,7,9H2,1-5H3,(H,12,13)/b8-6+
InChIKeyDNUWITODPGFPGL-SOFGYWHQSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.04
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)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-(1-hydroxycyclohexyl)pent-2-en-1-one
CID 101268207
5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide
CID 72594676
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
5-aminooxypent-2-enoic acid
CID 57274484
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid (CID 87677044) is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid is CC(C)(C)[Si](C)(C)OCC/C=C/C(=O)O.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid?
The InChIKey is DNUWITODPGFPGL-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h6,8H,7,9H2,1-5H3,(H,12,13)/b8-6+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid?
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 3.04, 5 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]oxypent-2-enoic acid is sourced from PubChem (CID 87677044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).