(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one

C24H38O5Si — CID 11633468

IUPAC(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
SMILESCC[Si](CC)(CC)O[C@@H](CC#CC(=O)CCC[C@H](O)CO)COCc1ccccc1
InChIInChI=1S/C24H38O5Si/c1-4-30(5-2,6-3)29-24(20-28-19-21-12-8-7-9-13-21)17-11-15-22(26)14-10-16-23(27)18-25/h7-9,12-13,23-25,27H,4-6,10,14,16-20H2,1-3H3/t23-,24-/m0/s1
InChIKeySBZWQFDKVSIVIT-ZEQRLZLVSA-N
MW434.65 g/mol
LogP4.08
Rot. Bonds15

About (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one

(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one (PubChem CID 11633468) has the molecular formula C24H38O5Si and a molecular weight of 434.65 g/mol. Its IUPAC name is (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one.

Molecular Properties

Compound Name(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
PubChem CID11633468
Molecular FormulaC24H38O5Si
Molecular Weight434.65 g/mol
Exact Mass434.25
IUPAC Name(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
SMILESCC[Si](CC)(CC)O[C@@H](CC#CC(=O)CCC[C@H](O)CO)COCc1ccccc1
InChIInChI=1S/C24H38O5Si/c1-4-30(5-2,6-3)29-24(20-28-19-21-12-8-7-9-13-21)17-11-15-22(26)14-10-16-23(27)18-25/h7-9,12-13,23-25,27H,4-6,10,14,16-20H2,1-3H3/t23-,24-/m0/s1
InChIKeySBZWQFDKVSIVIT-ZEQRLZLVSA-N
XLogP4.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(4-bromophenyl)methoxy]-10,11-dihydroxy-2-triethylsilyloxyundec-4-yn-6-one
CID 11684938
(2S)-1-phenylmethoxy-2,9-bis(triethylsilyloxy)-12-trimethylsilyldodeca-4,11-diyn-6-one
CID 11520084
(9S)-1-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 71417914
(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
CID 71681283
2-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 11334831
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
CID 172760983
CID 172760983
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
(2S)-1-phenylmethoxyhex-4-yn-2-ol
CID 14428392
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690

Frequently Asked Questions

What is the IUPAC name of (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one?
The IUPAC name of (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one (CID 11633468) is (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one.
What is the SMILES notation for (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one?
The canonical SMILES for (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one is CC[Si](CC)(CC)O[C@@H](CC#CC(=O)CCC[C@H](O)CO)COCc1ccccc1.
What is the InChIKey of (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one?
The InChIKey is SBZWQFDKVSIVIT-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H38O5Si/c1-4-30(5-2,6-3)29-24(20-28-19-21-12-8-7-9-13-21)17-11-15-22(26)14-10-16-23(27)18-25/h7-9,12-13,23-25,27H,4-6,10,14,16-20H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one?
(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one has a molecular weight of 434.65 g/mol, XLogP of 4.08, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one is sourced from PubChem (CID 11633468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).