2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane

C20H34F2O2 — CID 144750074

About 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane

2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane (PubChem CID 144750074) has the molecular formula C20H34F2O2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane.

Molecular Properties

• Compound Name: 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane
• PubChem CID: 144750074
• Molecular Formula: C20H34F2O2
• Molecular Weight: 344.49 g/mol
• Exact Mass: 344.25
• IUPAC Name: 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane
• SMILES: C=C(OC)/C(F)=C(/F)C(=C)C(C)COC(C)C(C)CCC(C)CC
• InChI: InChI=1S/C20H34F2O2/c1-9-13(2)10-11-14(3)17(6)24-12-15(4)16(5)19(21)20(22)18(7)23-8/h13-15,17H,5,7,9-12H2,1-4,6,8H3/b20-19-
• InChIKey: JFRSTQFHKMTCQI-VXPUYCOJSA-N
• XLogP: 6.36
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.49
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane?

The IUPAC name of 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane (CID 144750074) is 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane.

What is the SMILES notation for 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane?

The canonical SMILES for 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane is C=C(OC)/C(F)=C(/F)C(=C)C(C)COC(C)C(C)CCC(C)CC.

What is the InChIKey of 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane?

The InChIKey is JFRSTQFHKMTCQI-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H34F2O2/c1-9-13(2)10-11-14(3)17(6)24-12-15(4)16(5)19(21)20(22)18(7)23-8/h13-15,17H,5,7,9-12H2,1-4,6,8H3/b20-19-.

What are the key properties of 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane?

2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane has a molecular weight of 344.49 g/mol, XLogP of 6.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4Z)-4,5-difluoro-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienoxy]-3,6-dimethyloctane is sourced from PubChem (CID 144750074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).