4-but-3-enyloxane-4-carboxylic acid

C10H16O3 — CID 79425611

IUPAC4-but-3-enyloxane-4-carboxylic acid
SMILESC=CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16O3/c1-2-3-4-10(9(11)12)5-7-13-8-6-10/h2H,1,3-8H2,(H,11,12)
InChIKeyPMGATRCMTBMESG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds4

About 4-but-3-enyloxane-4-carboxylic acid

4-but-3-enyloxane-4-carboxylic acid (PubChem CID 79425611) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-but-3-enyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-but-3-enyloxane-4-carboxylic acid
PubChem CID79425611
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-but-3-enyloxane-4-carboxylic acid
SMILESC=CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16O3/c1-2-3-4-10(9(11)12)5-7-13-8-6-10/h2H,1,3-8H2,(H,11,12)
InChIKeyPMGATRCMTBMESG-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyloxane-4-carboxylic acid?
The IUPAC name of 4-but-3-enyloxane-4-carboxylic acid (CID 79425611) is 4-but-3-enyloxane-4-carboxylic acid.
What is the SMILES notation for 4-but-3-enyloxane-4-carboxylic acid?
The canonical SMILES for 4-but-3-enyloxane-4-carboxylic acid is C=CCCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-but-3-enyloxane-4-carboxylic acid?
The InChIKey is PMGATRCMTBMESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-10(9(11)12)5-7-13-8-6-10/h2H,1,3-8H2,(H,11,12).
What are the key properties of 4-but-3-enyloxane-4-carboxylic acid?
4-but-3-enyloxane-4-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyloxane-4-carboxylic acid is sourced from PubChem (CID 79425611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).