4-but-3-enoxybutanoic acid

C8H14O3 — CID 10329531

IUPAC4-but-3-enoxybutanoic acid
SMILESC=CCCOCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-6-11-7-4-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyRTCBVTYNSANFGU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.44
Rot. Bonds7

About 4-but-3-enoxybutanoic acid

4-but-3-enoxybutanoic acid (PubChem CID 10329531) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-but-3-enoxybutanoic acid.

Molecular Properties

Compound Name4-but-3-enoxybutanoic acid
PubChem CID10329531
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-but-3-enoxybutanoic acid
SMILESC=CCCOCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-6-11-7-4-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyRTCBVTYNSANFGU-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pent-4-enoxypropanoic acid
CID 10034873
5-but-3-enoxypentan-2-one
CID 62031380
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
tritriacont-32-enoic acid
CID 54063641
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxybutanoic acid?
The IUPAC name of 4-but-3-enoxybutanoic acid (CID 10329531) is 4-but-3-enoxybutanoic acid.
What is the SMILES notation for 4-but-3-enoxybutanoic acid?
The canonical SMILES for 4-but-3-enoxybutanoic acid is C=CCCOCCCC(=O)O.
What is the InChIKey of 4-but-3-enoxybutanoic acid?
The InChIKey is RTCBVTYNSANFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-6-11-7-4-5-8(9)10/h2H,1,3-7H2,(H,9,10).
What are the key properties of 4-but-3-enoxybutanoic acid?
4-but-3-enoxybutanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxybutanoic acid is sourced from PubChem (CID 10329531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).