8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid

C19H32O3 — CID 88642568

IUPAC8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid
SMILESC=CCCCC=CC(C)C(=O)O.C=CCCCC=CCOC
InChIInChI=1S/C10H16O2.C9H16O/c1-3-4-5-6-7-8-9(2)10(11)12;1-3-4-5-6-7-8-9-10-2/h3,7-9H,1,4-6H2,2H3,(H,11,12);3,7-8H,1,4-6,9H2,2H3
InChIKeyFMDIFOJGMUEOFM-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.16
Rot. Bonds12

About 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid

8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid (PubChem CID 88642568) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid.

Molecular Properties

Compound Name8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid
PubChem CID88642568
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid
SMILESC=CCCCC=CC(C)C(=O)O.C=CCCCC=CCOC
InChIInChI=1S/C10H16O2.C9H16O/c1-3-4-5-6-7-8-9(2)10(11)12;1-3-4-5-6-7-8-9-10-2/h3,7-9H,1,4-6H2,2H3,(H,11,12);3,7-8H,1,4-6,9H2,2H3
InChIKeyFMDIFOJGMUEOFM-UHFFFAOYSA-N
XLogP5.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169
methyl (5E)-undeca-5,10-dienoate
CID 102118350
octa-2,7-dienyl butanoate
CID 154129368
methyl (4E)-2-hydroxydeca-4,9-dienoate
CID 19751808
dodeca-1,6,11-triene
CID 548864
methyl (2E,5E)-undeca-2,5,10-trienoate
CID 5362640
(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
trimethyl-[(2E)-octa-2,7-dienoxy]silane
CID 22620662
(E)-7-methoxy-3-methylhept-5-en-2-one
CID 59550367
bis(2-octa-2,7-dienoxyethyl) but-2-enedioate
CID 91193780
2-(methoxymethyl)non-8-enoic acid
CID 90389869

Frequently Asked Questions

What is the IUPAC name of 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid?
The IUPAC name of 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid (CID 88642568) is 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid.
What is the SMILES notation for 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid?
The canonical SMILES for 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid is C=CCCCC=CC(C)C(=O)O.C=CCCCC=CCOC.
What is the InChIKey of 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid?
The InChIKey is FMDIFOJGMUEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C9H16O/c1-3-4-5-6-7-8-9(2)10(11)12;1-3-4-5-6-7-8-9-10-2/h3,7-9H,1,4-6H2,2H3,(H,11,12);3,7-8H,1,4-6,9H2,2H3.
What are the key properties of 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid?
8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid has a molecular weight of 308.46 g/mol, XLogP of 5.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyocta-1,6-diene;2-methylnona-3,8-dienoic acid is sourced from PubChem (CID 88642568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).