ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate

About ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate

ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate (PubChem CID 11247682) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate.

Molecular Properties

Compound Name	ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate
PubChem CID	11247682
Molecular Formula	C24H44O5Si
Molecular Weight	440.70 g/mol
Exact Mass	440.30
IUPAC Name	ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate
SMILES	C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)C[C@H](O)C(=O)OCC
InChI	InChI=1S/C24H44O5Si/c1-9-27-23(26)22(25)17-19(3)15-18(2)16-21-12-10-11-20(29-21)13-14-28-30(7,8)24(4,5)6/h10-11,18,20-22,25H,3,9,12-17H2,1-2,4-8H3/t18-,20-,21-,22-/m0/s1
InChIKey	OVWZDXKYAIYHKG-QESAQDPVSA-N
XLogP	5.40
TPSA	64.99 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.70
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate?

The IUPAC name of ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate (CID 11247682) is ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate.

What is the SMILES notation for ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate?

The canonical SMILES for ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate is C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)C[C@H](O)C(=O)OCC.

What is the InChIKey of ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate?

The InChIKey is OVWZDXKYAIYHKG-QESAQDPVSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-9-27-23(26)22(25)17-19(3)15-18(2)16-21-12-10-11-20(29-21)13-14-28-30(7,8)24(4,5)6/h10-11,18,20-22,25H,3,9,12-17H2,1-2,4-8H3/t18-,20-,21-,22-/m0/s1.

What are the key properties of ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate?

ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate has a molecular weight of 440.70 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate is sourced from PubChem (CID 11247682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).