(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol

C32H58O4Si — CID 164887777

IUPAC(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol
SMILESCO[C@H](/C(C)=C/[C@H](C)C[C@H](C)C(O)C(C)(C)C)[C@@H](C)[C@@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O4Si/c1-23(20-25(3)30(33)31(5,6)7)19-24(2)29(34-11)26(4)28(36-37(12,13)32(8,9)10)22-35-21-27-17-15-14-16-18-27/h14-19,23,25-26,28-30,33H,20-22H2,1-13H3/b24-19+/t23-,25-,26-,28+,29+,30?/m0/s1
InChIKeyACFRKHRWEQSPIW-PBBDAZDUSA-N
MW534.90 g/mol
LogP8.26
Rot. Bonds14

About (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol

(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol (PubChem CID 164887777) has the molecular formula C32H58O4Si and a molecular weight of 534.90 g/mol. Its IUPAC name is (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol.

Molecular Properties

Compound Name(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol
PubChem CID164887777
Molecular FormulaC32H58O4Si
Molecular Weight534.90 g/mol
Exact Mass534.41
IUPAC Name(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol
SMILESCO[C@H](/C(C)=C/[C@H](C)C[C@H](C)C(O)C(C)(C)C)[C@@H](C)[C@@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O4Si/c1-23(20-25(3)30(33)31(5,6)7)19-24(2)29(34-11)26(4)28(36-37(12,13)32(8,9)10)22-35-21-27-17-15-14-16-18-27/h14-19,23,25-26,28-30,33H,20-22H2,1-13H3/b24-19+/t23-,25-,26-,28+,29+,30?/m0/s1
InChIKeyACFRKHRWEQSPIW-PBBDAZDUSA-N
XLogP8.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-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

3-Phenylmethoxybutane-1,2,4-triol
CID 561860
(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol
CID 10867592
Rknomymtxrfasb-kszliroesa-
CID 10947637
(6aR,8S,9S,9aS)-2-ethyl-2,4,4-triisopropyl-8-phenyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 5273065
2H-Pyran-2-ol, 6-(1,1-dimethylethyl)dimethylsilyloxymethyltetrahydro-3-methoxy-5-(phenylmethoxy)-2-(2-propenyl)-, 2R-(2alpha,3beta,5beta,6alpha)-
CID 90469872
(2R,3R,4R)-3-(benzyloxy)-1-((tert-butyldimethylsilyl)oxy)-4-fluoro-4-(trifluoromethyl)hex-5-en-2-ol
CID 165415777
tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane
CID 10521411
(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
CID 10553560
(2S,3S)-3-(Benzyloxy)butane-1,2,4-triol
CID 10921802
(2S,3S)-4-Benzyloxy-3-methylbutan-1,2-diol
CID 11435764
1-[Tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol
CID 73222990
tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083178

Frequently Asked Questions

What is the IUPAC name of (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol?
The IUPAC name of (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol (CID 164887777) is (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol.
What is the SMILES notation for (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol?
The canonical SMILES for (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol is CO[C@H](/C(C)=C/[C@H](C)C[C@H](C)C(O)C(C)(C)C)[C@@H](C)[C@@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol?
The InChIKey is ACFRKHRWEQSPIW-PBBDAZDUSA-N. The full InChI is InChI=1S/C32H58O4Si/c1-23(20-25(3)30(33)31(5,6)7)19-24(2)29(34-11)26(4)28(36-37(12,13)32(8,9)10)22-35-21-27-17-15-14-16-18-27/h14-19,23,25-26,28-30,33H,20-22H2,1-13H3/b24-19+/t23-,25-,26-,28+,29+,30?/m0/s1.
What are the key properties of (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol?
(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol has a molecular weight of 534.90 g/mol, XLogP of 8.26, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol is sourced from PubChem (CID 164887777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).