(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid

C23H38O4Si — CID 25180974

IUPAC(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid
SMILESCCC/C=C\[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C23H38O4Si/c1-7-8-10-15-20(26-18-19-13-11-9-12-14-19)16-21(17-22(24)25)27-28(5,6)23(2,3)4/h9-15,20-21H,7-8,16-18H2,1-6H3,(H,24,25)/b15-10-/t20-,21-/m1/s1
InChIKeyZOAINKHKTNMNRL-ZNRMRMJZSA-N
MW406.64 g/mol
LogP6.18
Rot. Bonds12

About (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid

(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid (PubChem CID 25180974) has the molecular formula C23H38O4Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid.

Molecular Properties

Compound Name(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid
PubChem CID25180974
Molecular FormulaC23H38O4Si
Molecular Weight406.64 g/mol
Exact Mass406.25
IUPAC Name(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid
SMILESCCC/C=C\[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C23H38O4Si/c1-7-8-10-15-20(26-18-19-13-11-9-12-14-19)16-21(17-22(24)25)27-28(5,6)23(2,3)4/h9-15,20-21H,7-8,16-18H2,1-6H3,(H,24,25)/b15-10-/t20-,21-/m1/s1
InChIKeyZOAINKHKTNMNRL-ZNRMRMJZSA-N
XLogP6.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate
CID 25178064
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
phenyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyoct-7-enoate
CID 24997824
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
(3R,5S,6S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(2-phenylmethoxybenzoyl)amino]heptanoic acid
CID 11354661
(E)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-hydroxy-5-phenylmethoxycyclopentyl]hept-3-enoic acid
CID 67758851
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
ethyl (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-phenyl-4-phenylmethoxypentanoate
CID 101186285

Frequently Asked Questions

What is the IUPAC name of (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid?
The IUPAC name of (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid (CID 25180974) is (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid.
What is the SMILES notation for (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid?
The canonical SMILES for (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid is CCC/C=C\[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid?
The InChIKey is ZOAINKHKTNMNRL-ZNRMRMJZSA-N. The full InChI is InChI=1S/C23H38O4Si/c1-7-8-10-15-20(26-18-19-13-11-9-12-14-19)16-21(17-22(24)25)27-28(5,6)23(2,3)4/h9-15,20-21H,7-8,16-18H2,1-6H3,(H,24,25)/b15-10-/t20-,21-/m1/s1.
What are the key properties of (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid?
(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid has a molecular weight of 406.64 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid is sourced from PubChem (CID 25180974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).