(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid

C18H34O3Si — CID 46849960

IUPAC(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid
SMILESC=C[C@H](CCC/C=C/C(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-8-17(12-10-9-11-13-18(19)20)21-22(14(2)3,15(4)5)16(6)7/h8,11,13-17H,1,9-10,12H2,2-7H3,(H,19,20)/b13-11+/t17-/m1/s1
InChIKeyFXARCDPOLBEFKB-MLFXKNMZSA-N
MW326.55 g/mol
LogP5.54
Rot. Bonds11

About (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid

(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid (PubChem CID 46849960) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid.

Molecular Properties

Compound Name(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid
PubChem CID46849960
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid
SMILESC=C[C@H](CCC/C=C/C(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-8-17(12-10-9-11-13-18(19)20)21-22(14(2)3,15(4)5)16(6)7/h8,11,13-17H,1,9-10,12H2,2-7H3,(H,19,20)/b13-11+/t17-/m1/s1
InChIKeyFXARCDPOLBEFKB-MLFXKNMZSA-N
XLogP5.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.54
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'}, {'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
(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
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid
CID 11379902
(2E,4Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylnona-2,4,8-trienoic acid
CID 11449346
methyl (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienoate
CID 57327615
methyl (2Z,5R)-5-[[(3S)-hept-1-en-3-yl]oxy-di(propan-2-yl)silyl]oxyhepta-2,6-dienoate
CID 71739272
5-[Tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid
CID 90947732
ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
CID 139252212
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoic acid
CID 25023657

Frequently Asked Questions

What is the IUPAC name of (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid?
The IUPAC name of (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid (CID 46849960) is (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid.
What is the SMILES notation for (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid?
The canonical SMILES for (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid is C=C[C@H](CCC/C=C/C(=O)O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid?
The InChIKey is FXARCDPOLBEFKB-MLFXKNMZSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-17(12-10-9-11-13-18(19)20)21-22(14(2)3,15(4)5)16(6)7/h8,11,13-17H,1,9-10,12H2,2-7H3,(H,19,20)/b13-11+/t17-/m1/s1.
What are the key properties of (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid?
(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid has a molecular weight of 326.55 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid is sourced from PubChem (CID 46849960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).