(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one

C24H40O5Si — CID 59767975

IUPAC(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
SMILESC[C@H]1C=CC2=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C24H40O5Si/c1-15-7-8-16-11-19(29-30(5,6)24(2,3)4)14-21(26)23(16)20(15)10-9-18-12-17(25)13-22(27)28-18/h7-8,11,15,17-21,23,25-26H,9-10,12-14H2,1-6H3/t15-,17+,18+,19-,20-,21-,23-/m0/s1
InChIKeyRKLRMUQZAVOTSD-IZODTOOQSA-N
MW436.67 g/mol
LogP4.35
Rot. Bonds5

About (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one

(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one (PubChem CID 59767975) has the molecular formula C24H40O5Si and a molecular weight of 436.67 g/mol. Its IUPAC name is (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
PubChem CID59767975
Molecular FormulaC24H40O5Si
Molecular Weight436.67 g/mol
Exact Mass436.26
IUPAC Name(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
SMILESC[C@H]1C=CC2=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C24H40O5Si/c1-15-7-8-16-11-19(29-30(5,6)24(2,3)4)14-21(26)23(16)20(15)10-9-18-12-17(25)13-22(27)28-18/h7-8,11,15,17-21,23,25-26H,9-10,12-14H2,1-6H3/t15-,17+,18+,19-,20-,21-,23-/m0/s1
InChIKeyRKLRMUQZAVOTSD-IZODTOOQSA-N
XLogP4.35
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.67
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one (CID 59767975) is (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one is C[C@H]1C=CC2=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one?
The InChIKey is RKLRMUQZAVOTSD-IZODTOOQSA-N. The full InChI is InChI=1S/C24H40O5Si/c1-15-7-8-16-11-19(29-30(5,6)24(2,3)4)14-21(26)23(16)20(15)10-9-18-12-17(25)13-22(27)28-18/h7-8,11,15,17-21,23,25-26H,9-10,12-14H2,1-6H3/t15-,17+,18+,19-,20-,21-,23-/m0/s1.
What are the key properties of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one has a molecular weight of 436.67 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 59767975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).