2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid

C19H30O5 — CID 67941554

IUPAC2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid
SMILESCC(=O)C(CC=C(C)CCC=C(C)COC1CCCCO1)C(=O)O
InChIInChI=1S/C19H30O5/c1-14(10-11-17(16(3)20)19(21)22)7-6-8-15(2)13-24-18-9-4-5-12-23-18/h8,10,17-18H,4-7,9,11-13H2,1-3H3,(H,21,22)
InChIKeyIILVPECXJOPYGL-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.88
Rot. Bonds10

About 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid

2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid (PubChem CID 67941554) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid.

Molecular Properties

Compound Name2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid
PubChem CID67941554
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid
SMILESCC(=O)C(CC=C(C)CCC=C(C)COC1CCCCO1)C(=O)O
InChIInChI=1S/C19H30O5/c1-14(10-11-17(16(3)20)19(21)22)7-6-8-15(2)13-24-18-9-4-5-12-23-18/h8,10,17-18H,4-7,9,11-13H2,1-3H3,(H,21,22)
InChIKeyIILVPECXJOPYGL-UHFFFAOYSA-N
XLogP3.88
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid?
The IUPAC name of 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid (CID 67941554) is 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid.
What is the SMILES notation for 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid?
The canonical SMILES for 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid is CC(=O)C(CC=C(C)CCC=C(C)COC1CCCCO1)C(=O)O.
What is the InChIKey of 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid?
The InChIKey is IILVPECXJOPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-14(10-11-17(16(3)20)19(21)22)7-6-8-15(2)13-24-18-9-4-5-12-23-18/h8,10,17-18H,4-7,9,11-13H2,1-3H3,(H,21,22).
What are the key properties of 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid?
2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid has a molecular weight of 338.44 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5,9-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoic acid is sourced from PubChem (CID 67941554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).