10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid

C13H20O4 — CID 162814763

IUPAC10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
SMILESCOC(=O)CCC(C)=CCCC(C)=CC(=O)O
InChIInChI=1S/C13H20O4/c1-10(7-8-13(16)17-3)5-4-6-11(2)9-12(14)15/h5,9H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyYGMFRMJDLJQZDH-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.70
Rot. Bonds7

About 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid

10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid (PubChem CID 162814763) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid.

Molecular Properties

Compound Name10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
PubChem CID162814763
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
SMILESCOC(=O)CCC(C)=CCCC(C)=CC(=O)O
InChIInChI=1S/C13H20O4/c1-10(7-8-13(16)17-3)5-4-6-11(2)9-12(14)15/h5,9H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyYGMFRMJDLJQZDH-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
3,7,11-trimethyl-10-oxododeca-2,6,11-trienoic acid
CID 54551052
dimethyl (E)-3-methylhex-2-enedioate
CID 134916664
methyl 4-methylnona-4,8-dienoate
CID 71333092
methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
3,7,11-trimethyldodeca-2,6,10-trienal;3,7,11-trimethyldodeca-2,6,10-trienoic acid
CID 175832885
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461
methyl (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraenoate
CID 10544590
(2E,6Z)-2-[(3Z,7Z)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-dienedioic acid
CID 163184467

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid?
The IUPAC name of 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid (CID 162814763) is 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid.
What is the SMILES notation for 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid?
The canonical SMILES for 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid is COC(=O)CCC(C)=CCCC(C)=CC(=O)O.
What is the InChIKey of 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid?
The InChIKey is YGMFRMJDLJQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-10(7-8-13(16)17-3)5-4-6-11(2)9-12(14)15/h5,9H,4,6-8H2,1-3H3,(H,14,15).
What are the key properties of 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid?
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid is sourced from PubChem (CID 162814763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).