(3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one

C23H40O3Si — CID 11372787

About (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one

(3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one (PubChem CID 11372787) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one.

Molecular Properties

• Compound Name: (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one
• PubChem CID: 11372787
• Molecular Formula: C23H40O3Si
• Molecular Weight: 392.66 g/mol
• Exact Mass: 392.27
• IUPAC Name: (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one
• SMILES: CC1=C/COC(=O)/C=C/[C@@H](C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)\C=C\1
• InChI: InChI=1S/C23H40O3Si/c1-17(2)27(18(3)4,19(5)6)26-22-12-9-20(7)11-14-23(24)25-16-15-21(8)10-13-22/h10-11,13-15,17-20,22H,9,12,16H2,1-8H3/b13-10+,14-11+,21-15-/t20-,22-/m0/s1
• InChIKey: JVMMGYSGDCZKQL-SUIAQHIVSA-N
• XLogP: 6.58
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.66
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one?

The IUPAC name of (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one (CID 11372787) is (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one.

What is the SMILES notation for (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one?

The canonical SMILES for (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one is CC1=C/COC(=O)/C=C/[C@@H](C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)\C=C\1.

What is the InChIKey of (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one?

The InChIKey is JVMMGYSGDCZKQL-SUIAQHIVSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-17(2)27(18(3)4,19(5)6)26-22-12-9-20(7)11-14-23(24)25-16-15-21(8)10-13-22/h10-11,13-15,17-20,22H,9,12,16H2,1-8H3/b13-10+,14-11+,21-15-/t20-,22-/m0/s1.

What are the key properties of (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one?

(3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one has a molecular weight of 392.66 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5S,8S,9E,11Z)-5,11-dimethyl-8-tri(propan-2-yl)silyloxy-1-oxacyclotrideca-3,9,11-trien-2-one is sourced from PubChem (CID 11372787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).