1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid

C13H24O3 — CID 62739552

IUPAC1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCOCCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24O3/c1-11(2)5-9-16-10-8-13(12(14)15)6-3-4-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBSANDBIVGCFCIU-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.08
Rot. Bonds7

About 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid

1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 62739552) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID62739552
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CCOCCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24O3/c1-11(2)5-9-16-10-8-13(12(14)15)6-3-4-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBSANDBIVGCFCIU-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 112590761
1-(3-methylbutoxy)cycloheptane-1-carboxylic acid
CID 114988579
1-(3-aminobutyl)cyclohexane-1-carboxylic acid
CID 174943817
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
3-ethyl-1-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 106459363
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid (CID 62739552) is 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid is CC(C)CCOCCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is BSANDBIVGCFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(2)5-9-16-10-8-13(12(14)15)6-3-4-7-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 228.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62739552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).