(2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one

C26H46O3Si — CID 102323203

About (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one

(2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one (PubChem CID 102323203) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one.

Molecular Properties

• Compound Name: (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
• PubChem CID: 102323203
• Molecular Formula: C26H46O3Si
• Molecular Weight: 434.74 g/mol
• Exact Mass: 434.32
• IUPAC Name: (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
• SMILES: COC1=C[C@@]2(C)CCCCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=C1)C2=O
• InChI: InChI=1S/C26H46O3Si/c1-19(2)30(20(3)4,21(5)6)29-24-15-13-11-9-10-12-14-16-26(7)18-22(28-8)17-23(24)25(26)27/h17-21,24H,9-16H2,1-8H3/t24-,26+/m0/s1
• InChIKey: UKBBQSPAHDHORH-AZGAKELHSA-N
• XLogP: 7.73
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.74
LogP ≤ 5	7.73
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 (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?

The IUPAC name of (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one (CID 102323203) is (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one.

What is the SMILES notation for (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?

The canonical SMILES for (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one is COC1=C[C@@]2(C)CCCCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=C1)C2=O.

What is the InChIKey of (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?

The InChIKey is UKBBQSPAHDHORH-AZGAKELHSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-19(2)30(20(3)4,21(5)6)29-24-15-13-11-9-10-12-14-16-26(7)18-22(28-8)17-23(24)25(26)27/h17-21,24H,9-16H2,1-8H3/t24-,26+/m0/s1.

What are the key properties of (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one?

(2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one has a molecular weight of 434.74 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,11R)-13-methoxy-11-methyl-2-tri(propan-2-yl)silyloxybicyclo[9.3.1]pentadeca-1(14),12-dien-15-one is sourced from PubChem (CID 102323203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).