2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid

C12H20O3 — CID 131165500

IUPAC2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(CC1CCCO1)C(=O)O
InChIInChI=1S/C12H20O3/c1-9-4-2-6-12(9,11(13)14)8-10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyCINZVABIJTUTGX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid

2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 131165500) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID131165500
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(CC1CCCO1)C(=O)O
InChIInChI=1S/C12H20O3/c1-9-4-2-6-12(9,11(13)14)8-10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyCINZVABIJTUTGX-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
CID 130935055
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid (CID 131165500) is 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid is CC1CCCC1(CC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is CINZVABIJTUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-4-2-6-12(9,11(13)14)8-10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid?
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 131165500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).