5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid

C22H40O4 — CID 175919951

IUPAC5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCCC(C)CC(=O)O.CC(C)=CCCC(C)CCCC(=O)O
InChIInChI=1S/C12H22O2.C10H18O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-8(2)5-4-6-9(3)7-10(11)12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14);5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyXRWHYDZVTKUKSQ-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.47
Rot. Bonds12

About 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid

5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid (PubChem CID 175919951) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
PubChem CID175919951
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCCC(C)CC(=O)O.CC(C)=CCCC(C)CCCC(=O)O
InChIInChI=1S/C12H22O2.C10H18O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-8(2)5-4-6-9(3)7-10(11)12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14);5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyXRWHYDZVTKUKSQ-UHFFFAOYSA-N
XLogP6.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid?
The IUPAC name of 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid (CID 175919951) is 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid.
What is the SMILES notation for 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid?
The canonical SMILES for 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid is CC(C)=CCCC(C)CC(=O)O.CC(C)=CCCC(C)CCCC(=O)O.
What is the InChIKey of 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid?
The InChIKey is XRWHYDZVTKUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C10H18O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-8(2)5-4-6-9(3)7-10(11)12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14);5,9H,4,6-7H2,1-3H3,(H,11,12).
What are the key properties of 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid?
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid has a molecular weight of 368.56 g/mol, XLogP of 6.47, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid is sourced from PubChem (CID 175919951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).