3-cyclopentyl-2-methyloxolane-3-carboxylic acid

C11H18O3 — CID 114533867

IUPAC3-cyclopentyl-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O3/c1-8-11(10(12)13,6-7-14-8)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyBEQDVPMCCKXUGQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds2

About 3-cyclopentyl-2-methyloxolane-3-carboxylic acid

3-cyclopentyl-2-methyloxolane-3-carboxylic acid (PubChem CID 114533867) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-methyloxolane-3-carboxylic acid
PubChem CID114533867
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-cyclopentyl-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O3/c1-8-11(10(12)13,6-7-14-8)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyBEQDVPMCCKXUGQ-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
CID 114533838
3-(2-hydroxycycloheptyl)-2-methyloxolane-3-carboxylic acid
CID 114533925
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
CID 114621870
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
2-methyl-1-(oxan-4-yl)cyclopentane-1-carboxylic acid
CID 130992604
2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid
CID 104509198
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
benzene;1-cyclohexylcyclohexane-1,2-dicarboxylic acid
CID 174291946
3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
CID 114533650
(3aR,7aR)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylic acid
CID 124509993
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
3-cyclopentyl-4-oxooxane-3-carboxylic acid
CID 106470045

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-methyloxolane-3-carboxylic acid (CID 114533867) is 3-cyclopentyl-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-methyloxolane-3-carboxylic acid is CC1OCCC1(C(=O)O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-methyloxolane-3-carboxylic acid?
The InChIKey is BEQDVPMCCKXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-11(10(12)13,6-7-14-8)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-cyclopentyl-2-methyloxolane-3-carboxylic acid?
3-cyclopentyl-2-methyloxolane-3-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 114533867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).