1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid

C11H20O3 — CID 82238741

IUPAC1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)OC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20O3/c1-4-10(2,3)14-11(9(12)13)7-5-6-8-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyBKBVNFRECQJQKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid

1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid (PubChem CID 82238741) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid
PubChem CID82238741
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)OC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20O3/c1-4-10(2,3)14-11(9(12)13)7-5-6-8-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyBKBVNFRECQJQKT-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
4-[(2-methylpropan-2-yl)oxy]oxepane-4-carboxylic acid
CID 115029610
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
CID 114987778
1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
CID 83226715
3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 82236601
1-(2-hydroxy-2-methylbutyl)cycloheptane-1-carboxylic acid
CID 114497614
1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid
CID 103017563
1-(3-methylbutoxy)cycloheptane-1-carboxylic acid
CID 114988579
3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
CID 115017259
1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
CID 82129224
1-(2-propan-2-yloxyethoxy)cycloheptane-1-carboxylic acid
CID 114994306

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid (CID 82238741) is 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid is CCC(C)(C)OC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid?
The InChIKey is BKBVNFRECQJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-10(2,3)14-11(9(12)13)7-5-6-8-11/h4-8H2,1-3H3,(H,12,13).
What are the key properties of 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid?
1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82238741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).