tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate

C24H48O3Si — CID 10764187

IUPACtert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
SMILESC=CC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](CC)(CC)C(C)C
InChIInChI=1S/C24H48O3Si/c1-10-15-22(27-28(11-2,12-3)20(4)5)19-18-21(6)16-13-14-17-23(25)26-24(7,8)9/h10,20-22H,1,11-19H2,2-9H3/t21-,22-/m1/s1
InChIKeyYHXVBTGETJBKOV-FGZHOGPDSA-N
MW412.73 g/mol
LogP7.66
Rot. Bonds15

About tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate

tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate (PubChem CID 10764187) has the molecular formula C24H48O3Si and a molecular weight of 412.73 g/mol. Its IUPAC name is tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate.

Molecular Properties

Compound Nametert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
PubChem CID10764187
Molecular FormulaC24H48O3Si
Molecular Weight412.73 g/mol
Exact Mass412.34
IUPAC Nametert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate
SMILESC=CC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](CC)(CC)C(C)C
InChIInChI=1S/C24H48O3Si/c1-10-15-22(27-28(11-2,12-3)20(4)5)19-18-21(6)16-13-14-17-23(25)26-24(7,8)9/h10,20-22H,1,11-19H2,2-9H3/t21-,22-/m1/s1
InChIKeyYHXVBTGETJBKOV-FGZHOGPDSA-N
XLogP7.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-4-ethenyl-5-tridecyloxolan-2-one
CID 53355543
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
Ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
(4R,5S,8S)-8-[(2R)-but-3-en-2-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxocan-2-one
CID 10914388
(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one
CID 10990078
2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
CID 14636389
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylnon-8-enoic acid
CID 24767554
[(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate
CID 134848352
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
(4R,6S)-4-[(E)-2-tributylstannylethenyl]-6-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]oxan-2-one
CID 138981339
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
(1S,6S,9R,13R,14Z,17R,19S)-14-[diethoxy(methyl)silyl]-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-en-7-one
CID 72700970

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate?
The IUPAC name of tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate (CID 10764187) is tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate.
What is the SMILES notation for tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate?
The canonical SMILES for tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate is C=CC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](CC)(CC)C(C)C.
What is the InChIKey of tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate?
The InChIKey is YHXVBTGETJBKOV-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H48O3Si/c1-10-15-22(27-28(11-2,12-3)20(4)5)19-18-21(6)16-13-14-17-23(25)26-24(7,8)9/h10,20-22H,1,11-19H2,2-9H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate?
tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate has a molecular weight of 412.73 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R,9S)-9-[diethyl(propan-2-yl)silyl]oxy-6-methyldodec-11-enoate is sourced from PubChem (CID 10764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).