2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one

C30H48O4 — CID 89185612

About 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one

2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one (PubChem CID 89185612) has the molecular formula C30H48O4 and a molecular weight of 472.71 g/mol. Its IUPAC name is 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one
• PubChem CID: 89185612
• Molecular Formula: C30H48O4
• Molecular Weight: 472.71 g/mol
• Exact Mass: 472.36
• IUPAC Name: 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one
• SMILES: C=CCC(CCCC(=O)C(C)(C)C)OC(C)(C)C(C)(C)C(=O)C(OC(C)(C)C)c1ccccc1
• InChI: InChI=1S/C30H48O4/c1-12-17-23(20-16-21-24(31)27(2,3)4)33-30(10,11)29(8,9)26(32)25(34-28(5,6)7)22-18-14-13-15-19-22/h12-15,18-19,23,25H,1,16-17,20-21H2,2-11H3
• InChIKey: DLVJMYOCUNLAFU-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.71
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one?

The IUPAC name of 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one (CID 89185612) is 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one.

What is the SMILES notation for 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one?

The canonical SMILES for 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one is C=CCC(CCCC(=O)C(C)(C)C)OC(C)(C)C(C)(C)C(=O)C(OC(C)(C)C)c1ccccc1.

What is the InChIKey of 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one?

The InChIKey is DLVJMYOCUNLAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O4/c1-12-17-23(20-16-21-24(31)27(2,3)4)33-30(10,11)29(8,9)26(32)25(34-28(5,6)7)22-18-14-13-15-19-22/h12-15,18-19,23,25H,1,16-17,20-21H2,2-11H3.

What are the key properties of 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one?

2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one has a molecular weight of 472.71 g/mol, XLogP of 7.66, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-7-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxo-5-phenylpentan-2-yl]oxydec-9-en-3-one is sourced from PubChem (CID 89185612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).