2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid

C17H28O3 — CID 129047901

IUPAC2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid
SMILESCC(C)=CCCC(C)CCC1(C(=O)C(=O)O)CCCC1
InChIInChI=1S/C17H28O3/c1-13(2)7-6-8-14(3)9-12-17(10-4-5-11-17)15(18)16(19)20/h7,14H,4-6,8-12H2,1-3H3,(H,19,20)
InChIKeyHJEFAJBTWFLBJR-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.36
Rot. Bonds8

About 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid

2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid (PubChem CID 129047901) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid
PubChem CID129047901
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid
SMILESCC(C)=CCCC(C)CCC1(C(=O)C(=O)O)CCCC1
InChIInChI=1S/C17H28O3/c1-13(2)7-6-8-14(3)9-12-17(10-4-5-11-17)15(18)16(19)20/h7,14H,4-6,8-12H2,1-3H3,(H,19,20)
InChIKeyHJEFAJBTWFLBJR-UHFFFAOYSA-N
XLogP4.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9-dimethyl-2-propan-2-yldec-8-enoic acid
CID 87889859
2,6,10-trimethylundec-2-ene
CID 14805750
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
2-(1-ethylcyclopentyl)-2-oxoacetic acid
CID 66611187
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
(1R,4S,5R)-4-[(3R)-3,7-dimethyloct-6-enyl]-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
CID 101177196
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid?
The IUPAC name of 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid (CID 129047901) is 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid?
The canonical SMILES for 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid is CC(C)=CCCC(C)CCC1(C(=O)C(=O)O)CCCC1.
What is the InChIKey of 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid?
The InChIKey is HJEFAJBTWFLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-13(2)7-6-8-14(3)9-12-17(10-4-5-11-17)15(18)16(19)20/h7,14H,4-6,8-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid?
2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid has a molecular weight of 280.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,7-dimethyloct-6-enyl)cyclopentyl]-2-oxoacetic acid is sourced from PubChem (CID 129047901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).