2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid

C13H22O3 — CID 81008976

IUPAC2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CCCC1CCCO1
InChIInChI=1S/C13H22O3/c14-13(15)12-8-2-5-10(12)4-1-6-11-7-3-9-16-11/h10-12H,1-9H2,(H,14,15)
InChIKeyLATRTWFUVYVYGT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid

2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid (PubChem CID 81008976) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
PubChem CID81008976
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CCCC1CCCO1
InChIInChI=1S/C13H22O3/c14-13(15)12-8-2-5-10(12)4-1-6-11-7-3-9-16-11/h10-12H,1-9H2,(H,14,15)
InChIKeyLATRTWFUVYVYGT-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
CID 107187091
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385
7-(oxolan-2-yl)heptanoic acid
CID 174977398
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
CID 69054314
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(oxolan-2-ylmethoxy)cyclopentane-1-carboxylic acid
CID 114988084

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid (CID 81008976) is 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CCCC1CCCO1.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The InChIKey is LATRTWFUVYVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-13(15)12-8-2-5-10(12)4-1-6-11-7-3-9-16-11/h10-12H,1-9H2,(H,14,15).
What are the key properties of 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).