4-prop-2-enyloxane-4-carboxylic acid

C9H14O3 — CID 58928610

IUPAC4-prop-2-enyloxane-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCOCC1
InChIInChI=1S/C9H14O3/c1-2-3-9(8(10)11)4-6-12-7-5-9/h2H,1,3-7H2,(H,10,11)
InChIKeyHVWQCIOJZRZQSC-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.44
Rot. Bonds3

About 4-prop-2-enyloxane-4-carboxylic acid

4-prop-2-enyloxane-4-carboxylic acid (PubChem CID 58928610) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-prop-2-enyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enyloxane-4-carboxylic acid
PubChem CID58928610
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-prop-2-enyloxane-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCOCC1
InChIInChI=1S/C9H14O3/c1-2-3-9(8(10)11)4-6-12-7-5-9/h2H,1,3-7H2,(H,10,11)
InChIKeyHVWQCIOJZRZQSC-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)oxolane-3-carboxylic acid
CID 79420822
4-[(E)-hept-1-enyl]oxane-4-carboxylic acid
CID 138983929
2-(4-Ethenyloxan-4-yl)acetic acid
CID 21911147
2-(2-Methoxyethyl)pent-4-enoic acid
CID 53647384
3-Ethoxycarbonyl-3-prop-2-enylhex-5-enoic acid
CID 54279554
2-Ethyl-2-(2-methoxyethyl)pent-4-enoic acid
CID 56994261
Ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate
CID 58052407
tetrahydro-4-(2-propen-1-yl)-2H-Pyran-4-carboxylic acid methyl ester
CID 58928641
2,2-Bis(but-3-enyl)hex-5-enyl 4-hydroxybutanoate
CID 59253886
methyl 4-vinyltetrahydro-2H-pyran-4-carboxylate
CID 118175810
Tert-butyl 4-prop-2-enyloxane-4-carboxylate
CID 118666362
Ethyl 4-allyltetrahydro-2H-pyran-4-carboxylate
CID 124179624

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyloxane-4-carboxylic acid?
The IUPAC name of 4-prop-2-enyloxane-4-carboxylic acid (CID 58928610) is 4-prop-2-enyloxane-4-carboxylic acid.
What is the SMILES notation for 4-prop-2-enyloxane-4-carboxylic acid?
The canonical SMILES for 4-prop-2-enyloxane-4-carboxylic acid is C=CCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-prop-2-enyloxane-4-carboxylic acid?
The InChIKey is HVWQCIOJZRZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-9(8(10)11)4-6-12-7-5-9/h2H,1,3-7H2,(H,10,11).
What are the key properties of 4-prop-2-enyloxane-4-carboxylic acid?
4-prop-2-enyloxane-4-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyloxane-4-carboxylic acid is sourced from PubChem (CID 58928610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).