(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one

C28H48O4Si2 — CID 10006339

IUPAC(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2C(O[Si](C)(C)C)=C1
InChIInChI=1S/C28H48O4Si2/c1-19-15-21-12-11-20(2)24(27(21)25(16-19)32-33(6,7)8)14-13-22-17-23(18-26(29)30-22)31-34(9,10)28(3,4)5/h11-12,15-16,19-20,22-24,27H,13-14,17-18H2,1-10H3/t19-,20-,22+,23+,24-,27-/m0/s1
InChIKeyKMDMMVFKMMQHIS-CPUAHJQSSA-N
MW504.86 g/mol
LogP7.61
Rot. Bonds7

About (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one

(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (PubChem CID 10006339) has the molecular formula C28H48O4Si2 and a molecular weight of 504.86 g/mol. Its IUPAC name is (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
PubChem CID10006339
Molecular FormulaC28H48O4Si2
Molecular Weight504.86 g/mol
Exact Mass504.31
IUPAC Name(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2C(O[Si](C)(C)C)=C1
InChIInChI=1S/C28H48O4Si2/c1-19-15-21-12-11-20(2)24(27(21)25(16-19)32-33(6,7)8)14-13-22-17-23(18-26(29)30-22)31-34(9,10)28(3,4)5/h11-12,15-16,19-20,22-24,27H,13-14,17-18H2,1-10H3/t19-,20-,22+,23+,24-,27-/m0/s1
InChIKeyKMDMMVFKMMQHIS-CPUAHJQSSA-N
XLogP7.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (CID 10006339) is (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one is C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2C(O[Si](C)(C)C)=C1.
What is the InChIKey of (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The InChIKey is KMDMMVFKMMQHIS-CPUAHJQSSA-N. The full InChI is InChI=1S/C28H48O4Si2/c1-19-15-21-12-11-20(2)24(27(21)25(16-19)32-33(6,7)8)14-13-22-17-23(18-26(29)30-22)31-34(9,10)28(3,4)5/h11-12,15-16,19-20,22-24,27H,13-14,17-18H2,1-10H3/t19-,20-,22+,23+,24-,27-/m0/s1.
What are the key properties of (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
(4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one has a molecular weight of 504.86 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[2-[(1S,2S,6S,8aR)-2,6-dimethyl-8-trimethylsilyloxy-1,2,6,8a-tetrahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one is sourced from PubChem (CID 10006339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).