[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate

C31H62O5Si2 — CID 11226891

IUPAC[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@@H](C[C@@H](O)[C@@H](C)C#CCOC(=O)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C31H62O5Si2/c1-14-37(15-2,16-3)35-28(26(10)29(24(7)8)36-38(17-4,18-5)19-6)23-27(32)25(9)21-20-22-34-30(33)31(11,12)13/h24-29,32H,14-19,22-23H2,1-13H3/t25-,26-,27+,28+,29+/m0/s1
InChIKeySXIZDVPOEBLDMA-MUPNWXRXSA-N
MW571.00 g/mol
LogP8.04
Rot. Bonds17

About [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate

[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate (PubChem CID 11226891) has the molecular formula C31H62O5Si2 and a molecular weight of 571.00 g/mol. Its IUPAC name is [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate
PubChem CID11226891
Molecular FormulaC31H62O5Si2
Molecular Weight571.00 g/mol
Exact Mass570.41
IUPAC Name[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@@H](C[C@@H](O)[C@@H](C)C#CCOC(=O)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C31H62O5Si2/c1-14-37(15-2,16-3)35-28(26(10)29(24(7)8)36-38(17-4,18-5)19-6)23-27(32)25(9)21-20-22-34-30(33)31(11,12)13/h24-29,32H,14-19,22-23H2,1-13H3/t25-,26-,27+,28+,29+/m0/s1
InChIKeySXIZDVPOEBLDMA-MUPNWXRXSA-N
XLogP8.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate 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

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
[(4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethyldec-2-ynyl] acetate
CID 11257624
[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methylheptyl] 2,2-dimethylpropanoate
CID 134931595
(2R,4S,5S,6S,8R)-2,8-Dimethyl-4,6-dimethoxy-5-t-butyldimethylsilyloxy-9-pivaloyloxynonanol
CID 11826692
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822515
[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916222
[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916227
[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 89353450
[(2R,3R,4S,5S,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619146
[(2R,3R,4S,5R,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619158
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 155619160

Frequently Asked Questions

What is the IUPAC name of [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate?
The IUPAC name of [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate (CID 11226891) is [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@@H](C[C@@H](O)[C@@H](C)C#CCOC(=O)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate?
The InChIKey is SXIZDVPOEBLDMA-MUPNWXRXSA-N. The full InChI is InChI=1S/C31H62O5Si2/c1-14-37(15-2,16-3)35-28(26(10)29(24(7)8)36-38(17-4,18-5)19-6)23-27(32)25(9)21-20-22-34-30(33)31(11,12)13/h24-29,32H,14-19,22-23H2,1-13H3/t25-,26-,27+,28+,29+/m0/s1.
What are the key properties of [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate?
[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate has a molecular weight of 571.00 g/mol, XLogP of 8.04, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11226891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).