5-ethenyl-3,5,9-trimethyldec-8-enoic acid

C15H26O2 — CID 87972506

IUPAC5-ethenyl-3,5,9-trimethyldec-8-enoic acid
SMILESC=CC(C)(CCC=C(C)C)CC(C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-6-15(5,9-7-8-12(2)3)11-13(4)10-14(16)17/h6,8,13H,1,7,9-11H2,2-5H3,(H,16,17)
InChIKeyRMVKXHCNPKFQOM-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.43
Rot. Bonds8

About 5-ethenyl-3,5,9-trimethyldec-8-enoic acid

5-ethenyl-3,5,9-trimethyldec-8-enoic acid (PubChem CID 87972506) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-ethenyl-3,5,9-trimethyldec-8-enoic acid.

Molecular Properties

Compound Name5-ethenyl-3,5,9-trimethyldec-8-enoic acid
PubChem CID87972506
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-ethenyl-3,5,9-trimethyldec-8-enoic acid
SMILESC=CC(C)(CCC=C(C)C)CC(C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-6-15(5,9-7-8-12(2)3)11-13(4)10-14(16)17/h6,8,13H,1,7,9-11H2,2-5H3,(H,16,17)
InChIKeyRMVKXHCNPKFQOM-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethenyl-3,5,9-trimethyldec-8-enoic acid?
The IUPAC name of 5-ethenyl-3,5,9-trimethyldec-8-enoic acid (CID 87972506) is 5-ethenyl-3,5,9-trimethyldec-8-enoic acid.
What is the SMILES notation for 5-ethenyl-3,5,9-trimethyldec-8-enoic acid?
The canonical SMILES for 5-ethenyl-3,5,9-trimethyldec-8-enoic acid is C=CC(C)(CCC=C(C)C)CC(C)CC(=O)O.
What is the InChIKey of 5-ethenyl-3,5,9-trimethyldec-8-enoic acid?
The InChIKey is RMVKXHCNPKFQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,9-7-8-12(2)3)11-13(4)10-14(16)17/h6,8,13H,1,7,9-11H2,2-5H3,(H,16,17).
What are the key properties of 5-ethenyl-3,5,9-trimethyldec-8-enoic acid?
5-ethenyl-3,5,9-trimethyldec-8-enoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,5,9-trimethyldec-8-enoic acid is sourced from PubChem (CID 87972506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).