5-(oxolan-2-yl)oxolane-2-carboxylic acid

C9H14O4 — CID 71756387

IUPAC5-(oxolan-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCO2)O1
InChIInChI=1S/C9H14O4/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h6-8H,1-5H2,(H,10,11)
InChIKeyJPZSMTLLPKKQRD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.80
Rot. Bonds2

About 5-(oxolan-2-yl)oxolane-2-carboxylic acid

5-(oxolan-2-yl)oxolane-2-carboxylic acid (PubChem CID 71756387) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-(oxolan-2-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-2-yl)oxolane-2-carboxylic acid
PubChem CID71756387
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name5-(oxolan-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCO2)O1
InChIInChI=1S/C9H14O4/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h6-8H,1-5H2,(H,10,11)
InChIKeyJPZSMTLLPKKQRD-UHFFFAOYSA-N
XLogP0.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-3-carboxylic acid
CID 68999663
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
oxolane-2-carboxylic acid;silver
CID 160678639
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone
CID 167900250
6-cyclopentyloxane-2-carboxylic acid
CID 130585212
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
2-(oxiran-2-yl)oxolane
CID 18759351
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(oxolan-2-yl)oxolane-2-carboxylic acid (CID 71756387) is 5-(oxolan-2-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(oxolan-2-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(oxolan-2-yl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C2CCCO2)O1.
What is the InChIKey of 5-(oxolan-2-yl)oxolane-2-carboxylic acid?
The InChIKey is JPZSMTLLPKKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h6-8H,1-5H2,(H,10,11).
What are the key properties of 5-(oxolan-2-yl)oxolane-2-carboxylic acid?
5-(oxolan-2-yl)oxolane-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 71756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).