2-ethenyl-2,6-dimethylhept-5-enoic acid

C11H18O2 — CID 567589

IUPAC2-ethenyl-2,6-dimethylhept-5-enoic acid
SMILESC=CC(C)(CCC=C(C)C)C(=O)O
InChIInChI=1S/C11H18O2/c1-5-11(4,10(12)13)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyDVCHJFSLGUNEQZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.01
Rot. Bonds5

About 2-ethenyl-2,6-dimethylhept-5-enoic acid

2-ethenyl-2,6-dimethylhept-5-enoic acid (PubChem CID 567589) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethylhept-5-enoic acid.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethylhept-5-enoic acid
PubChem CID567589
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-ethenyl-2,6-dimethylhept-5-enoic acid
SMILESC=CC(C)(CCC=C(C)C)C(=O)O
InChIInChI=1S/C11H18O2/c1-5-11(4,10(12)13)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyDVCHJFSLGUNEQZ-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chrysanthemic acid d-trans-form
CID 16747
Chrysanthemic Acid
CID 2743
Chrysanthemic acid, cis-(-)-
CID 20755
5-Decenoic acid, (5E)-
CID 5362593
Chrysanthemic acid, trans-(-)-
CID 33607
Chrysanthemic acid, cis-(+)-
CID 33606
5-Decenoic acid
CID 53400879
(5Z,9Z)-14-Methyl-5,9-pentadecadienoic acid
CID 10106262
1-Methylcyclohex-3-ene-1-carboxylic acid
CID 86046
(3Z)-2-Propylpent-3-enoic acid
CID 24892812
6-Methylhept-5-enoic acid
CID 5282663
2,2,5-Trimethylhex-4-enoic acid
CID 550173

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6-dimethylhept-5-enoic acid?
The IUPAC name of 2-ethenyl-2,6-dimethylhept-5-enoic acid (CID 567589) is 2-ethenyl-2,6-dimethylhept-5-enoic acid.
What is the SMILES notation for 2-ethenyl-2,6-dimethylhept-5-enoic acid?
The canonical SMILES for 2-ethenyl-2,6-dimethylhept-5-enoic acid is C=CC(C)(CCC=C(C)C)C(=O)O.
What is the InChIKey of 2-ethenyl-2,6-dimethylhept-5-enoic acid?
The InChIKey is DVCHJFSLGUNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-11(4,10(12)13)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3,(H,12,13).
What are the key properties of 2-ethenyl-2,6-dimethylhept-5-enoic acid?
2-ethenyl-2,6-dimethylhept-5-enoic acid has a molecular weight of 182.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethylhept-5-enoic acid is sourced from PubChem (CID 567589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).