acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol

C24H46O6 — CID 174949943

About acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol

acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol (PubChem CID 174949943) has the molecular formula C24H46O6 and a molecular weight of 430.63 g/mol. Its IUPAC name is acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol.

Molecular Properties

• Compound Name: acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
• PubChem CID: 174949943
• Molecular Formula: C24H46O6
• Molecular Weight: 430.63 g/mol
• Exact Mass: 430.33
• IUPAC Name: acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
• SMILES: C=CC(C)(O)CCC=C(C)C.CC(=O)O.CC(=O)O.CC(C)=CCCC(C)CCO
• InChI: InChI=1S/C10H20O.C10H18O.2C2H4O2/c1-9(2)5-4-6-10(3)7-8-11;1-5-10(4,11)8-6-7-9(2)3;2*1-2(3)4/h5,10-11H,4,6-8H2,1-3H3;5,7,11H,1,6,8H2,2-4H3;2*1H3,(H,3,4)
• InChIKey: GMQNOTROATVQJE-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 115.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.63
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	4
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 acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol?

The IUPAC name of acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol (CID 174949943) is acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol.

What is the SMILES notation for acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol?

The canonical SMILES for acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol is C=CC(C)(O)CCC=C(C)C.CC(=O)O.CC(=O)O.CC(C)=CCCC(C)CCO.

What is the InChIKey of acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol?

The InChIKey is GMQNOTROATVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C10H18O.2C2H4O2/c1-9(2)5-4-6-10(3)7-8-11;1-5-10(4,11)8-6-7-9(2)3;2*1-2(3)4/h5,10-11H,4,6-8H2,1-3H3;5,7,11H,1,6,8H2,2-4H3;2*1H3,(H,3,4).

What are the key properties of acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol?

acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol has a molecular weight of 430.63 g/mol, XLogP of 5.60, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 174949943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).