(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol

C22H44O4Si — CID 10668728

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O4Si/c1-21(2,3)27(6,7)25-17-13-11-9-8-10-12-14-19(23)15-16-20-18-24-22(4,5)26-20/h15-16,19-20,23H,8-14,17-18H2,1-7H3/b16-15+/t19?,20-/m0/s1
InChIKeyUPNAYIRIHMWYOR-CQQXNVMQSA-N
MW400.68 g/mol
LogP5.81
Rot. Bonds12

About (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol

(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol (PubChem CID 10668728) has the molecular formula C22H44O4Si and a molecular weight of 400.68 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol
PubChem CID10668728
Molecular FormulaC22H44O4Si
Molecular Weight400.68 g/mol
Exact Mass400.30
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O4Si/c1-21(2,3)27(6,7)25-17-13-11-9-8-10-12-14-19(23)15-16-20-18-24-22(4,5)26-20/h15-16,19-20,23H,8-14,17-18H2,1-7H3/b16-15+/t19?,20-/m0/s1
InChIKeyUPNAYIRIHMWYOR-CQQXNVMQSA-N
XLogP5.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol 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

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
(3aS,4R,7S,7aR)-3a-[(Z)-8,8-dimethoxyoct-1-enyl]-2,2-dimethyl-7-tri(propan-2-yl)silyloxy-7,7a-dihydro-4H-1,3-benzodioxol-4-ol
CID 140808404
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732
(1r,3r,7r,8z,10s,11z,13s,14r)-11-({[t-Butyl-(dimethyl)silyl]oxy}methyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129751751
(1r,3s,7s,8z,10s,11z,13s,14r)-11-(t-Butyldimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129757626
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 135026574
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 58304496

Frequently Asked Questions

What is the IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol (CID 10668728) is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol is CC1(C)OC[C@H](/C=C/C(O)CCCCCCCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol?
The InChIKey is UPNAYIRIHMWYOR-CQQXNVMQSA-N. The full InChI is InChI=1S/C22H44O4Si/c1-21(2,3)27(6,7)25-17-13-11-9-8-10-12-14-19(23)15-16-20-18-24-22(4,5)26-20/h15-16,19-20,23H,8-14,17-18H2,1-7H3/b16-15+/t19?,20-/m0/s1.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol?
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol has a molecular weight of 400.68 g/mol, XLogP of 5.81, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol is sourced from PubChem (CID 10668728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).