4-(3-carboxypropyl)oxane-4-carboxylic acid

C10H16O5 — CID 70529226

IUPAC4-(3-carboxypropyl)oxane-4-carboxylic acid
SMILESO=C(O)CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16O5/c11-8(12)2-1-3-10(9(13)14)4-6-15-7-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKeyCPTOFGQRFQXLCI-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.12
Rot. Bonds5

About 4-(3-carboxypropyl)oxane-4-carboxylic acid

4-(3-carboxypropyl)oxane-4-carboxylic acid (PubChem CID 70529226) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-(3-carboxypropyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxypropyl)oxane-4-carboxylic acid
PubChem CID70529226
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-(3-carboxypropyl)oxane-4-carboxylic acid
SMILESO=C(O)CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16O5/c11-8(12)2-1-3-10(9(13)14)4-6-15-7-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKeyCPTOFGQRFQXLCI-UHFFFAOYSA-N
XLogP1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
4-(4,4-dimethylpentyl)oxane-4-carboxylic acid
CID 58052435
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
4-(2-fluoroethyl)oxane-4-carboxylic acid
CID 80695924
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-pent-3-ynyloxane-4-carboxylic acid
CID 104808886
3-dodecyloxolane-3-carboxylic acid
CID 63402957
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxypropyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(3-carboxypropyl)oxane-4-carboxylic acid (CID 70529226) is 4-(3-carboxypropyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(3-carboxypropyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(3-carboxypropyl)oxane-4-carboxylic acid is O=C(O)CCCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(3-carboxypropyl)oxane-4-carboxylic acid?
The InChIKey is CPTOFGQRFQXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-8(12)2-1-3-10(9(13)14)4-6-15-7-5-10/h1-7H2,(H,11,12)(H,13,14).
What are the key properties of 4-(3-carboxypropyl)oxane-4-carboxylic acid?
4-(3-carboxypropyl)oxane-4-carboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxypropyl)oxane-4-carboxylic acid is sourced from PubChem (CID 70529226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).