2-(1-pent-4-enoxycyclobutyl)acetic acid

C11H18O3 — CID 103272794

IUPAC2-(1-pent-4-enoxycyclobutyl)acetic acid
SMILESC=CCCCOC1(CC(=O)O)CCC1
InChIInChI=1S/C11H18O3/c1-2-3-4-8-14-11(6-5-7-11)9-10(12)13/h2H,1,3-9H2,(H,12,13)
InChIKeyCHKJFCTWVRHPFG-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.37
Rot. Bonds7

About 2-(1-pent-4-enoxycyclobutyl)acetic acid

2-(1-pent-4-enoxycyclobutyl)acetic acid (PubChem CID 103272794) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(1-pent-4-enoxycyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(1-pent-4-enoxycyclobutyl)acetic acid
PubChem CID103272794
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(1-pent-4-enoxycyclobutyl)acetic acid
SMILESC=CCCCOC1(CC(=O)O)CCC1
InChIInChI=1S/C11H18O3/c1-2-3-4-8-14-11(6-5-7-11)9-10(12)13/h2H,1,3-9H2,(H,12,13)
InChIKeyCHKJFCTWVRHPFG-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-pent-4-enoxycyclobutyl)acetic acid?
The IUPAC name of 2-(1-pent-4-enoxycyclobutyl)acetic acid (CID 103272794) is 2-(1-pent-4-enoxycyclobutyl)acetic acid.
What is the SMILES notation for 2-(1-pent-4-enoxycyclobutyl)acetic acid?
The canonical SMILES for 2-(1-pent-4-enoxycyclobutyl)acetic acid is C=CCCCOC1(CC(=O)O)CCC1.
What is the InChIKey of 2-(1-pent-4-enoxycyclobutyl)acetic acid?
The InChIKey is CHKJFCTWVRHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-8-14-11(6-5-7-11)9-10(12)13/h2H,1,3-9H2,(H,12,13).
What are the key properties of 2-(1-pent-4-enoxycyclobutyl)acetic acid?
2-(1-pent-4-enoxycyclobutyl)acetic acid has a molecular weight of 198.26 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pent-4-enoxycyclobutyl)acetic acid is sourced from PubChem (CID 103272794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).