methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate

C24H34O4 — CID 162893087

About methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate

methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate (PubChem CID 162893087) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate.

Molecular Properties

• Compound Name: methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate
• PubChem CID: 162893087
• Molecular Formula: C24H34O4
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.25
• IUPAC Name: methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate
• SMILES: COC(=O)C(C)=CCCC(C)=CCCC1(C)CCc2cc(OC)cc(C)c2O1
• InChI: InChI=1S/C24H34O4/c1-17(9-7-11-18(2)23(25)27-6)10-8-13-24(4)14-12-20-16-21(26-5)15-19(3)22(20)28-24/h10-11,15-16H,7-9,12-14H2,1-6H3
• InChIKey: UIXOCCYDUKCNOO-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate?

The IUPAC name of methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate (CID 162893087) is methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate.

What is the SMILES notation for methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate?

The canonical SMILES for methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate is COC(=O)C(C)=CCCC(C)=CCCC1(C)CCc2cc(OC)cc(C)c2O1.

What is the InChIKey of methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate?

The InChIKey is UIXOCCYDUKCNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-17(9-7-11-18(2)23(25)27-6)10-8-13-24(4)14-12-20-16-21(26-5)15-19(3)22(20)28-24/h10-11,15-16H,7-9,12-14H2,1-6H3.

What are the key properties of methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate?

methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate has a molecular weight of 386.53 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoate is sourced from PubChem (CID 162893087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).