(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal

C25H46O4Si — CID 23242993

About (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal

(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal (PubChem CID 23242993) has the molecular formula C25H46O4Si and a molecular weight of 438.73 g/mol. Its IUPAC name is (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal.

Molecular Properties

• Compound Name: (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal
• PubChem CID: 23242993
• Molecular Formula: C25H46O4Si
• Molecular Weight: 438.73 g/mol
• Exact Mass: 438.32
• IUPAC Name: (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal
• SMILES: COCO[C@H](CC/C(C)=C\C=O)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C25H46O4Si/c1-20(2)30(21(3)4,22(5)6)29-18-12-10-11-13-24(8)25(28-19-27-9)15-14-23(7)16-17-26/h10-13,16-17,20-22,24-25H,14-15,18-19H2,1-9H3/b12-10-,13-11+,23-16-/t24-,25-/m1/s1
• InChIKey: IDFVKPDDURNSBO-OVQHZSTHSA-N
• XLogP: 6.84
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.73
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal?

The IUPAC name of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal (CID 23242993) is (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal.

What is the SMILES notation for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal?

The canonical SMILES for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal is COCO[C@H](CC/C(C)=C\C=O)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal?

The InChIKey is IDFVKPDDURNSBO-OVQHZSTHSA-N. The full InChI is InChI=1S/C25H46O4Si/c1-20(2)30(21(3)4,22(5)6)29-18-12-10-11-13-24(8)25(28-19-27-9)15-14-23(7)16-17-26/h10-13,16-17,20-22,24-25H,14-15,18-19H2,1-9H3/b12-10-,13-11+,23-16-/t24-,25-/m1/s1.

What are the key properties of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal?

(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal has a molecular weight of 438.73 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal is sourced from PubChem (CID 23242993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).