(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one

C33H52O5Si — CID 11318925

IUPAC(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one
SMILESCOc1ccc(CO[C@@H](CC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COCc2ccccc2)CC(C)=O)cc1
InChIInChI=1S/C33H52O5Si/c1-25(15-18-31(21-27(3)34)37-24-29-16-19-30(35-7)20-17-29)32(38-39(8,9)33(4,5)6)26(2)22-36-23-28-13-11-10-12-14-28/h10-14,16-17,19-20,25-26,31-32H,15,18,21-24H2,1-9H3/t25-,26-,31+,32+/m1/s1
InChIKeyIWLRLWOWWAUYNK-BYMHMWHSSA-N
MW556.86 g/mol
LogP8.22
Rot. Bonds17

About (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one

(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one (PubChem CID 11318925) has the molecular formula C33H52O5Si and a molecular weight of 556.86 g/mol. Its IUPAC name is (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one.

Molecular Properties

Compound Name(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one
PubChem CID11318925
Molecular FormulaC33H52O5Si
Molecular Weight556.86 g/mol
Exact Mass556.36
IUPAC Name(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one
SMILESCOc1ccc(CO[C@@H](CC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COCc2ccccc2)CC(C)=O)cc1
InChIInChI=1S/C33H52O5Si/c1-25(15-18-31(21-27(3)34)37-24-29-16-19-30(35-7)20-17-29)32(38-39(8,9)33(4,5)6)26(2)22-36-23-28-13-11-10-12-14-28/h10-14,16-17,19-20,25-26,31-32H,15,18,21-24H2,1-9H3/t25-,26-,31+,32+/m1/s1
InChIKeyIWLRLWOWWAUYNK-BYMHMWHSSA-N
XLogP8.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.86
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one 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,3R,4R,5R,7R,8S,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8,10-tetramethyl-1-phenylmethoxyundecane-5,7-diol
CID 10865040
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 68970239
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(3R,5R,7S,10R,11S,12R)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-10,12-dimethyl-13-phenylmethoxytridec-1-ene-5,7-diol
CID 11763383
(3R,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-one
CID 52920734
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752

Frequently Asked Questions

What is the IUPAC name of (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one?
The IUPAC name of (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one (CID 11318925) is (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one.
What is the SMILES notation for (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one?
The canonical SMILES for (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one is COc1ccc(CO[C@@H](CC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COCc2ccccc2)CC(C)=O)cc1.
What is the InChIKey of (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one?
The InChIKey is IWLRLWOWWAUYNK-BYMHMWHSSA-N. The full InChI is InChI=1S/C33H52O5Si/c1-25(15-18-31(21-27(3)34)37-24-29-16-19-30(35-7)20-17-29)32(38-39(8,9)33(4,5)6)26(2)22-36-23-28-13-11-10-12-14-28/h10-14,16-17,19-20,25-26,31-32H,15,18,21-24H2,1-9H3/t25-,26-,31+,32+/m1/s1.
What are the key properties of (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one?
(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one has a molecular weight of 556.86 g/mol, XLogP of 8.22, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one is sourced from PubChem (CID 11318925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).