(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid

C13H26O3Si — CID 11379902

IUPAC(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\C(=O)O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h8,10H,6-7,9,11H2,1-5H3,(H,14,15)/b10-8-
InChIKeyMEEIYCIPELRJLW-NTMALXAHSA-N
MW258.43 g/mol
LogP3.82
Rot. Bonds7

About (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid

(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid (PubChem CID 11379902) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid.

Molecular Properties

Compound Name(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid
PubChem CID11379902
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C\C(=O)O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h8,10H,6-7,9,11H2,1-5H3,(H,14,15)/b10-8-
InChIKeyMEEIYCIPELRJLW-NTMALXAHSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.82
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

(13s,2e,4e,9e,11e)-13-t-Butyldimethylsilyloxy-2,4,9,11-tetradecatetraenoic acid
CID 129706294
(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid
CID 134965983
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 12723171
(R,E)-5-((tert-butyldimethylsilyl)oxy)hex-2-enoic acid
CID 10955805
(S,E)-5-((tert-butyldimethylsilyl)oxy)hex-2-enoic acid
CID 11149233
(2E,4Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylnona-2,4,8-trienoic acid
CID 11449346
(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid
CID 46849960
(2E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,6-dienoic acid
CID 135030564
2-Pentenoic acid, 5-(((1,1-dimethylethyl)dimethylsilyl)oxy)-3-methyl-, (E)-
CID 6443166
2,4-Octadienoic acid, 7-(t-butyldimethylsilyloxy)-
CID 5366891
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoic acid
CID 25023657

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid?
The IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid (CID 11379902) is (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid.
What is the SMILES notation for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid?
The canonical SMILES for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid is CC(C)(C)[Si](C)(C)OCCCC/C=C\C(=O)O.
What is the InChIKey of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid?
The InChIKey is MEEIYCIPELRJLW-NTMALXAHSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h8,10H,6-7,9,11H2,1-5H3,(H,14,15)/b10-8-.
What are the key properties of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid?
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid has a molecular weight of 258.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid is sourced from PubChem (CID 11379902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).