(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol

C48H56O6Si — CID 11983685

IUPAC(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol
SMILESCOc1ccc(CO[C@H](C)C[C@@H](C#CC(O)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C48H56O6Si/c1-38(51-35-41-26-28-42(50-5)29-27-41)34-43(52-36-39-18-10-6-11-19-39)30-31-46(49)47(53-37-40-20-12-7-13-21-40)32-33-54-55(48(2,3)4,44-22-14-8-15-23-44)45-24-16-9-17-25-45/h6-29,38,43,46-47,49H,32-37H2,1-5H3/t38-,43-,46?,47+/m1/s1
InChIKeySMQPPETWQPEREC-XPNIVRFQSA-N
MW757.06 g/mol
LogP8.49
Rot. Bonds19

About (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol

(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol (PubChem CID 11983685) has the molecular formula C48H56O6Si and a molecular weight of 757.06 g/mol. Its IUPAC name is (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol.

Molecular Properties

Compound Name(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol
PubChem CID11983685
Molecular FormulaC48H56O6Si
Molecular Weight757.06 g/mol
Exact Mass756.38
IUPAC Name(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol
SMILESCOc1ccc(CO[C@H](C)C[C@@H](C#CC(O)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C48H56O6Si/c1-38(51-35-41-26-28-42(50-5)29-27-41)34-43(52-36-39-18-10-6-11-19-39)30-31-46(49)47(53-37-40-20-12-7-13-21-40)32-33-54-55(48(2,3)4,44-22-14-8-15-23-44)45-24-16-9-17-25-45/h6-29,38,43,46-47,49H,32-37H2,1-5H3/t38-,43-,46?,47+/m1/s1
InChIKeySMQPPETWQPEREC-XPNIVRFQSA-N
XLogP8.49
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.06
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-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

(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
(3R,4R,5S,6S,9S,10S,11R)-12-[tert-butyl(diphenyl)silyl]oxy-4,10-bis(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-3,5,9,11-tetramethyldodec-7-yn-6-ol
CID 10747636
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
(2S,4S,5S,6R,7R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-7-phenylmethoxyundecan-1-ol
CID 71696774
(2S,4S,5S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-2-methyl-1-phenylmethoxyoct-7-en-4-ol
CID 102089644
(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2S,3S)-1-[2-[(2S,4R)-4-[2-[(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-methoxypentyl]-1,3-dithian-2-yl]-4-methoxybutan-2-yl]-1,3-dithian-2-yl]-5-[(4-methoxyphenyl)methoxy]-2-phenylmethoxypentan-3-ol
CID 56839681
(3R,4R,5E,7S,8S,9E,11R,12S,13R,14S)-11,15-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-3,13-bis[(4-methoxyphenyl)methoxy]-4,8,10,12,14-pentamethylpentadeca-5,9-dien-7-ol
CID 102380785
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
(Z,5R)-1-[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]hex-2-en-1-ol
CID 70843714
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747

Frequently Asked Questions

What is the IUPAC name of (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol?
The IUPAC name of (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol (CID 11983685) is (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol.
What is the SMILES notation for (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol?
The canonical SMILES for (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol is COc1ccc(CO[C@H](C)C[C@@H](C#CC(O)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol?
The InChIKey is SMQPPETWQPEREC-XPNIVRFQSA-N. The full InChI is InChI=1S/C48H56O6Si/c1-38(51-35-41-26-28-42(50-5)29-27-41)34-43(52-36-39-18-10-6-11-19-39)30-31-46(49)47(53-37-40-20-12-7-13-21-40)32-33-54-55(48(2,3)4,44-22-14-8-15-23-44)45-24-16-9-17-25-45/h6-29,38,43,46-47,49H,32-37H2,1-5H3/t38-,43-,46?,47+/m1/s1.
What are the key properties of (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol?
(3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol has a molecular weight of 757.06 g/mol, XLogP of 8.49, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7S,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-3,7-bis(phenylmethoxy)dec-5-yn-4-ol is sourced from PubChem (CID 11983685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).