(5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione

C31H50O5Si — CID 11785885

About (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione

(5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione (PubChem CID 11785885) has the molecular formula C31H50O5Si and a molecular weight of 530.82 g/mol. Its IUPAC name is (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione.

Molecular Properties

• Compound Name: (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione
• PubChem CID: 11785885
• Molecular Formula: C31H50O5Si
• Molecular Weight: 530.82 g/mol
• Exact Mass: 530.34
• IUPAC Name: (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione
• SMILES: C=C(/C=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=C)C)C[C@H]1O[C@@H]1[C@H]1CC(=C)[C@H](C)C(=O)CC(=O)O1
• InChI: InChI=1S/C31H50O5Si/c1-18(2)24(11)27(36-37(19(3)4,20(5)6)21(7)8)14-13-22(9)15-28-31(35-28)29-16-23(10)25(12)26(32)17-30(33)34-29/h13-14,19-21,24-25,27-29,31H,1,9-10,15-17H2,2-8,11-12H3/b14-13+/t24-,25-,27+,28+,29+,31-/m0/s1
• InChIKey: PRKBTUAAKVVJEU-QWZYPCCXSA-N
• XLogP: 7.50
• TPSA: 65.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.82
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione?

The IUPAC name of (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione (CID 11785885) is (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione.

What is the SMILES notation for (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione?

The canonical SMILES for (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione is C=C(/C=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=C)C)C[C@H]1O[C@@H]1[C@H]1CC(=C)[C@H](C)C(=O)CC(=O)O1.

What is the InChIKey of (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione?

The InChIKey is PRKBTUAAKVVJEU-QWZYPCCXSA-N. The full InChI is InChI=1S/C31H50O5Si/c1-18(2)24(11)27(36-37(19(3)4,20(5)6)21(7)8)14-13-22(9)15-28-31(35-28)29-16-23(10)25(12)26(32)17-30(33)34-29/h13-14,19-21,24-25,27-29,31H,1,9-10,15-17H2,2-8,11-12H3/b14-13+/t24-,25-,27+,28+,29+,31-/m0/s1.

What are the key properties of (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione?

(5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione has a molecular weight of 530.82 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,8R)-8-[(2S,3R)-3-[(3E,5R,6S)-6,7-dimethyl-2-methylidene-5-tri(propan-2-yl)silyloxyocta-3,7-dienyl]oxiran-2-yl]-5-methyl-6-methylideneoxocane-2,4-dione is sourced from PubChem (CID 11785885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).