2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol

C24H38O2 — CID 177190635

About 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol

2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol (PubChem CID 177190635) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol.

Molecular Properties

• Compound Name: 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol
• PubChem CID: 177190635
• Molecular Formula: C24H38O2
• Molecular Weight: 358.57 g/mol
• Exact Mass: 358.29
• IUPAC Name: 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol
• SMILES: CCCCCCC(C)(C)c1cc(O)c(C/C=C(/C)CC=C(C)C)c(O)c1
• InChI: InChI=1S/C24H38O2/c1-7-8-9-10-15-24(5,6)20-16-22(25)21(23(26)17-20)14-13-19(4)12-11-18(2)3/h11,13,16-17,25-26H,7-10,12,14-15H2,1-6H3/b19-13-
• InChIKey: GGVYYWUMORSXGO-UYRXBGFRSA-N
• XLogP: 7.19
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.57
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol?

The IUPAC name of 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol (CID 177190635) is 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol.

What is the SMILES notation for 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol?

The canonical SMILES for 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol is CCCCCCC(C)(C)c1cc(O)c(C/C=C(/C)CC=C(C)C)c(O)c1.

What is the InChIKey of 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol?

The InChIKey is GGVYYWUMORSXGO-UYRXBGFRSA-N. The full InChI is InChI=1S/C24H38O2/c1-7-8-9-10-15-24(5,6)20-16-22(25)21(23(26)17-20)14-13-19(4)12-11-18(2)3/h11,13,16-17,25-26H,7-10,12,14-15H2,1-6H3/b19-13-.

What are the key properties of 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol?

2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol has a molecular weight of 358.57 g/mol, XLogP of 7.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol is sourced from PubChem (CID 177190635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).