(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol

C27H48O4Si — CID 16732039

About (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol

(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol (PubChem CID 16732039) has the molecular formula C27H48O4Si and a molecular weight of 464.76 g/mol. Its IUPAC name is (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol
• PubChem CID: 16732039
• Molecular Formula: C27H48O4Si
• Molecular Weight: 464.76 g/mol
• Exact Mass: 464.33
• IUPAC Name: (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol
• SMILES: C=C(C)[C@@H]1CC(C)=C[C@H](OCOC)[C@H]1C[C@@H](O)C#CCCO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C27H48O4Si/c1-19(2)25-15-23(9)16-27(30-18-29-10)26(25)17-24(28)13-11-12-14-31-32(20(3)4,21(5)6)22(7)8/h16,20-22,24-28H,1,12,14-15,17-18H2,2-10H3/t24-,25-,26-,27-/m0/s1
• InChIKey: ZFDFHCWGAPUZID-FWEHEUNISA-N
• XLogP: 6.47
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.76
LogP ≤ 5	6.47
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)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol?

The IUPAC name of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol (CID 16732039) is (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol.

What is the SMILES notation for (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol?

The canonical SMILES for (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol is C=C(C)[C@@H]1CC(C)=C[C@H](OCOC)[C@H]1C[C@@H](O)C#CCCO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol?

The InChIKey is ZFDFHCWGAPUZID-FWEHEUNISA-N. The full InChI is InChI=1S/C27H48O4Si/c1-19(2)25-15-23(9)16-27(30-18-29-10)26(25)17-24(28)13-11-12-14-31-32(20(3)4,21(5)6)22(7)8/h16,20-22,24-28H,1,12,14-15,17-18H2,2-10H3/t24-,25-,26-,27-/m0/s1.

What are the key properties of (2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol?

(2R)-1-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol has a molecular weight of 464.76 g/mol, XLogP of 6.47, 12 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)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-6-tri(propan-2-yl)silyloxyhex-3-yn-2-ol is sourced from PubChem (CID 16732039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).