methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate

C25H38O6Si — CID 23635699

IUPACmethyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate
SMILESCOC(=O)C#CC(O)CCC(CCC(OC(C)=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H38O6Si/c1-19(26)30-23(20-11-9-8-10-12-20)17-16-22(31-32(6,7)25(2,3)4)15-13-21(27)14-18-24(28)29-5/h8-12,21-23,27H,13,15-17H2,1-7H3
InChIKeyYNCHHRRVVQHBLE-UHFFFAOYSA-N
MW462.66 g/mol
LogP4.78
Rot. Bonds10

About methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate

methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate (PubChem CID 23635699) has the molecular formula C25H38O6Si and a molecular weight of 462.66 g/mol. Its IUPAC name is methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate.

Molecular Properties

Compound Namemethyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate
PubChem CID23635699
Molecular FormulaC25H38O6Si
Molecular Weight462.66 g/mol
Exact Mass462.24
IUPAC Namemethyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate
SMILESCOC(=O)C#CC(O)CCC(CCC(OC(C)=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H38O6Si/c1-19(26)30-23(20-11-9-8-10-12-20)17-16-22(31-32(6,7)25(2,3)4)15-13-21(27)14-18-24(28)29-5/h8-12,21-23,27H,13,15-17H2,1-7H3
InChIKeyYNCHHRRVVQHBLE-UHFFFAOYSA-N
XLogP4.78
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate 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

methyl 7-acetyloxy-4-hydroxy-7-phenylhept-2-ynoate
CID 101438911
methyl (E)-15-acetyloxy-6,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-15-phenylpentadec-2-enoate
CID 101438914
[(1S)-1-phenylpentyl] acetate
CID 12651064
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
methyl (4S)-4-[(2R)-2-acetyloxy-2-phenylacetyl]oxyoct-7-en-2-ynoate
CID 44551188
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide
CID 59712846
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
[(2R,4S)-4-acetyloxy-2-hydroxy-2-methyl-4-phenylbutyl] acetate
CID 134934696

Frequently Asked Questions

What is the IUPAC name of methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate?
The IUPAC name of methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate (CID 23635699) is methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate.
What is the SMILES notation for methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate?
The canonical SMILES for methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate is COC(=O)C#CC(O)CCC(CCC(OC(C)=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate?
The InChIKey is YNCHHRRVVQHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O6Si/c1-19(26)30-23(20-11-9-8-10-12-20)17-16-22(31-32(6,7)25(2,3)4)15-13-21(27)14-18-24(28)29-5/h8-12,21-23,27H,13,15-17H2,1-7H3.
What are the key properties of methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate?
methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate has a molecular weight of 462.66 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-10-phenyldec-2-ynoate is sourced from PubChem (CID 23635699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).