(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol

C28H50O4Si — CID 11554753

About (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol

(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol (PubChem CID 11554753) has the molecular formula C28H50O4Si and a molecular weight of 478.79 g/mol. Its IUPAC name is (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol
• PubChem CID: 11554753
• Molecular Formula: C28H50O4Si
• Molecular Weight: 478.79 g/mol
• Exact Mass: 478.35
• IUPAC Name: (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol
• SMILES: C=C(C)[C@@H]1CC=C(C)[C@H](OCOC)[C@H]1C[C@@H](O)C#CCCCO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C28H50O4Si/c1-20(2)26-16-15-24(9)28(31-19-30-10)27(26)18-25(29)14-12-11-13-17-32-33(21(3)4,22(5)6)23(7)8/h15,21-23,25-29H,1,11,13,16-19H2,2-10H3/t25-,26-,27-,28-/m0/s1
• InChIKey: DJPZYJLDLUPMLV-LJWNLINESA-N
• XLogP: 6.86
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.79
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol?

The IUPAC name of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol (CID 11554753) is (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol.

What is the SMILES notation for (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol?

The canonical SMILES for (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol is C=C(C)[C@@H]1CC=C(C)[C@H](OCOC)[C@H]1C[C@@H](O)C#CCCCO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol?

The InChIKey is DJPZYJLDLUPMLV-LJWNLINESA-N. The full InChI is InChI=1S/C28H50O4Si/c1-20(2)26-16-15-24(9)28(31-19-30-10)27(26)18-25(29)14-12-11-13-17-32-33(21(3)4,22(5)6)23(7)8/h15,21-23,25-29H,1,11,13,16-19H2,2-10H3/t25-,26-,27-,28-/m0/s1.

What are the key properties of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol?

(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol has a molecular weight of 478.79 g/mol, XLogP of 6.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-7-tri(propan-2-yl)silyloxyhept-3-yn-2-ol is sourced from PubChem (CID 11554753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).