2-(1-methylcyclopentyl)oxane-3-carboxylic acid

C12H20O3 — CID 130933915

IUPAC2-(1-methylcyclopentyl)oxane-3-carboxylic acid
SMILESCC1(C2OCCCC2C(=O)O)CCCC1
InChIInChI=1S/C12H20O3/c1-12(6-2-3-7-12)10-9(11(13)14)5-4-8-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyQIGCBDYXWVJJPS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds2

About 2-(1-methylcyclopentyl)oxane-3-carboxylic acid

2-(1-methylcyclopentyl)oxane-3-carboxylic acid (PubChem CID 130933915) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)oxane-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)oxane-3-carboxylic acid
PubChem CID130933915
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(1-methylcyclopentyl)oxane-3-carboxylic acid
SMILESCC1(C2OCCCC2C(=O)O)CCCC1
InChIInChI=1S/C12H20O3/c1-12(6-2-3-7-12)10-9(11(13)14)5-4-8-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyQIGCBDYXWVJJPS-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23594551
(2S,3S)-2-ethenyloxane-3-carboxylic acid
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carbonic acid;1,2-dimethylcyclohexan-1-amine
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2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
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CID 175425918
2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 67386865
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
oxolane-2-carboxylic acid;silver
CID 160678639

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)oxane-3-carboxylic acid?
The IUPAC name of 2-(1-methylcyclopentyl)oxane-3-carboxylic acid (CID 130933915) is 2-(1-methylcyclopentyl)oxane-3-carboxylic acid.
What is the SMILES notation for 2-(1-methylcyclopentyl)oxane-3-carboxylic acid?
The canonical SMILES for 2-(1-methylcyclopentyl)oxane-3-carboxylic acid is CC1(C2OCCCC2C(=O)O)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)oxane-3-carboxylic acid?
The InChIKey is QIGCBDYXWVJJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(6-2-3-7-12)10-9(11(13)14)5-4-8-15-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylcyclopentyl)oxane-3-carboxylic acid?
2-(1-methylcyclopentyl)oxane-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)oxane-3-carboxylic acid is sourced from PubChem (CID 130933915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).