2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid

C11H18O4 — CID 174601737

IUPAC2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCCOC(=O)C1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-3-4-15-11(14)8-5-7(2)9(6-8)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyISKFGFCWUXZIDG-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid

2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 174601737) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid
PubChem CID174601737
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCCOC(=O)C1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-3-4-15-11(14)8-5-7(2)9(6-8)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyISKFGFCWUXZIDG-UHFFFAOYSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
2,5-bis(heptoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984693
3,5-bis(nonoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23443930
4-decoxycarbonylcyclohexane-1,3-dicarboxylic acid
CID 151166538
4-dodecoxycarbonylcyclohexane-1,3-dicarboxylic acid
CID 151137290
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
cyclopropanecarboxylic acid;propyl propanoate
CID 162163858
4,6-bis(heptoxycarbonyl)cyclohexane-1,3-dicarboxylic acid
CID 66984559
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
propyl thiane-4-carboxylate
CID 135122723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid (CID 174601737) is 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid is CCCOC(=O)C1CC(C)C(C(=O)O)C1.
What is the InChIKey of 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is ISKFGFCWUXZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-4-15-11(14)8-5-7(2)9(6-8)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid?
2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 174601737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).