(E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol

C27H52O4Si — CID 14431463

About (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol

(E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol (PubChem CID 14431463) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol.

Molecular Properties

• Compound Name: (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol
• PubChem CID: 14431463
• Molecular Formula: C27H52O4Si
• Molecular Weight: 468.80 g/mol
• Exact Mass: 468.36
• IUPAC Name: (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol
• SMILES: C/C(=C\C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1)C[C@@H](C)CO
• InChI: InChI=1S/C27H52O4Si/c1-19(2)25-22(5)13-14-27(30-25)17-24(31-32(9,10)26(6,7)8)16-23(29-27)12-11-20(3)15-21(4)18-28/h11,19,21-25,28H,12-18H2,1-10H3/b20-11+/t21-,22+,23-,24+,25-,27-/m1/s1
• InChIKey: HKKPRWJMHWHTRZ-HGEJQPQQSA-N
• XLogP: 7.08
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.80
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol?

The IUPAC name of (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol (CID 14431463) is (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol.

What is the SMILES notation for (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol?

The canonical SMILES for (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol is C/C(=C\C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1)C[C@@H](C)CO.

What is the InChIKey of (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol?

The InChIKey is HKKPRWJMHWHTRZ-HGEJQPQQSA-N. The full InChI is InChI=1S/C27H52O4Si/c1-19(2)25-22(5)13-14-27(30-25)17-24(31-32(9,10)26(6,7)8)16-23(29-27)12-11-20(3)15-21(4)18-28/h11,19,21-25,28H,12-18H2,1-10H3/b20-11+/t21-,22+,23-,24+,25-,27-/m1/s1.

What are the key properties of (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol?

(E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol has a molecular weight of 468.80 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2R)-6-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2,4-dimethylhex-4-en-1-ol is sourced from PubChem (CID 14431463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).