1-methyl-3-methylidenecyclopentane-1-carboxylic acid

C8H12O2 — CID 18614396

IUPAC1-methyl-3-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CCC(C)(C(=O)O)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(2,5-6)7(9)10/h1,3-5H2,2H3,(H,9,10)
InChIKeyRABGNNHDAZOUDC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds1

About 1-methyl-3-methylidenecyclopentane-1-carboxylic acid

1-methyl-3-methylidenecyclopentane-1-carboxylic acid (PubChem CID 18614396) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-methyl-3-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-methylidenecyclopentane-1-carboxylic acid
PubChem CID18614396
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-methyl-3-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CCC(C)(C(=O)O)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(2,5-6)7(9)10/h1,3-5H2,2H3,(H,9,10)
InChIKeyRABGNNHDAZOUDC-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
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

2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid
CID 117235
2,2-Dimethylhept-6-enoic acid
CID 15680403
2,2,4-trimethylpent-4-enoic Acid
CID 10920617
1-Ethenylcyclopentane-1-carboxylic acid
CID 17802802
3-Methylenecyclopentanecarboxylic acid
CID 18614353
1-(Prop-2-en-1-yl)cyclopentane-1-carboxylic acid
CID 45084789
1-(Methoxymethyl)-3-methylidenecyclopentane-1-carboxylic acid
CID 177800104
5-Methyl-4-methylidenehexanoic acid
CID 11344073
2,5-Dimethylhex-5-enoic acid
CID 23180147
(1R)-3-methylidenecyclopentane-1-carboxylic acid
CID 90130625
5,5-Dimethyl-4-methylidenehexanoic acid
CID 91113247
2,2,3-Trimethyl-3-cyclopentene-1-acetic acid, (1S)-
CID 12302350

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-3-methylidenecyclopentane-1-carboxylic acid (CID 18614396) is 1-methyl-3-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-3-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-3-methylidenecyclopentane-1-carboxylic acid is C=C1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-methyl-3-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is RABGNNHDAZOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-8(2,5-6)7(9)10/h1,3-5H2,2H3,(H,9,10).
What are the key properties of 1-methyl-3-methylidenecyclopentane-1-carboxylic acid?
1-methyl-3-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 18614396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).