methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate

C25H48O5Si2 — CID 10005583

IUPACmethyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
SMILESCCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H48O5Si2/c1-12-28-25(30-32(9,10)11)19-22(16-17-24(26)27-5)23(29-31(6,7)8)18-21(4)15-13-14-20(2)3/h14,21,23H,12-13,15-18H2,1-11H3/t19?,21-,23+/m0/s1
InChIKeyXUJGZHYABFXEOK-YTVKWDEWSA-N
MW484.83 g/mol
LogP7.19
Rot. Bonds15

About methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate

methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate (PubChem CID 10005583) has the molecular formula C25H48O5Si2 and a molecular weight of 484.83 g/mol. Its IUPAC name is methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate.

Molecular Properties

Compound Namemethyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
PubChem CID10005583
Molecular FormulaC25H48O5Si2
Molecular Weight484.83 g/mol
Exact Mass484.30
IUPAC Namemethyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
SMILESCCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H48O5Si2/c1-12-28-25(30-32(9,10)11)19-22(16-17-24(26)27-5)23(29-31(6,7)8)18-21(4)15-13-14-20(2)3/h14,21,23H,12-13,15-18H2,1-11H3/t19?,21-,23+/m0/s1
InChIKeyXUJGZHYABFXEOK-YTVKWDEWSA-N
XLogP7.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-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

(6S,7S,9E,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyl-12-[(2S)-4-oxopentan-2-yl]-1-oxacyclododec-9-en-2-one
CID 12000578
(4S,6S)-4-methyl-6-((4R,6E,8S,10E,12S,14E,16S)-4,8,12,16-tetrakis((triethylsilyl)oxy)nonadeca-6,10,14,18-tetraen-1-yl)tetrahydro-2H-pyran-2-one
CID 102497065
[(4R,5S,7E,9R,10R,12R)-10,12-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9-trimethyltrideca-1,7-dien-4-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
CID 134867137
[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
CID 135009086
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-3-enyl]-3,5-dimethyloxan-2-one
CID 59891874
(6S,7S,9E,12R)-12-[(2S,4E,6R,7R,9R)-7,9-bis[(tert-Butyldimethylsilyl)oxy]-4,6-dimethyldec-4-en-2-yl]-6-[(tert-butyldimethylsilyl)oxy]-7-methyl-1-oxacyclododec-9-en-2-one
CID 89570845
(6S,7S,9E,12R)-6-(tert-Butyldimethylsilyloxy)-12-isopropyl-7-methyloxacyclododec-9-en-2-one
CID 89570972
(6S,7S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-12-propan-2-yl-1-oxacyclododec-9-en-2-one
CID 123463497
(6S,7S,9Z,12R)-12-[(E,2S,6R,7R,9R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyldec-4-en-2-yl]-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-oxacyclododec-9-en-2-one
CID 140658609
(6S,7S,9Z,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-12-propan-2-yl-1-oxacyclododec-9-en-2-one
CID 140658617
(6S,7S,12R)-12-[(2S,6R,7R,9R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyldec-4-en-2-yl]-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-oxacyclododec-9-en-2-one
CID 173509273
methyl (5R)-2-hex-2-enyl-3-oxo-5-trimethylsilyloxyhexadecanoate
CID 175527408

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate?
The IUPAC name of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate (CID 10005583) is methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate.
What is the SMILES notation for methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate?
The canonical SMILES for methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate is CCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate?
The InChIKey is XUJGZHYABFXEOK-YTVKWDEWSA-N. The full InChI is InChI=1S/C25H48O5Si2/c1-12-28-25(30-32(9,10)11)19-22(16-17-24(26)27-5)23(29-31(6,7)8)18-21(4)15-13-14-20(2)3/h14,21,23H,12-13,15-18H2,1-11H3/t19?,21-,23+/m0/s1.
What are the key properties of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate?
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate has a molecular weight of 484.83 g/mol, XLogP of 7.19, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate is sourced from PubChem (CID 10005583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).