2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid

C12H20O3 — CID 130992604

IUPAC2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)C1CCOCC1
InChIInChI=1S/C12H20O3/c1-9-3-2-6-12(9,11(13)14)10-4-7-15-8-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyNTNWMJUEXNRLCT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid

2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 130992604) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
PubChem CID130992604
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)C1CCOCC1
InChIInChI=1S/C12H20O3/c1-9-3-2-6-12(9,11(13)14)10-4-7-15-8-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyNTNWMJUEXNRLCT-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130555054
1-(oxane-4-carbonyl)cyclobutane-1-carboxylic acid
CID 116921887
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246414
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 115242782
(5R,8S,9S,10R,13S,14S)-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid
CID 172679291
2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
CID 114533838
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid (CID 130992604) is 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid is CC1CCCC1(C(=O)O)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is NTNWMJUEXNRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-3-2-6-12(9,11(13)14)10-4-7-15-8-5-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid?
2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130992604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).