5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid

C11H18O5 — CID 57026910

IUPAC5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid
SMILESC=C(CCCOCCC1OCCO1)C(=O)O
InChIInChI=1S/C11H18O5/c1-9(11(12)13)3-2-5-14-6-4-10-15-7-8-16-10/h10H,1-8H2,(H,12,13)
InChIKeyBIESXAZPYVGUKY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.19
Rot. Bonds8

About 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid

5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid (PubChem CID 57026910) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid
PubChem CID57026910
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid
SMILESC=C(CCCOCCC1OCCO1)C(=O)O
InChIInChI=1S/C11H18O5/c1-9(11(12)13)3-2-5-14-6-4-10-15-7-8-16-10/h10H,1-8H2,(H,12,13)
InChIKeyBIESXAZPYVGUKY-UHFFFAOYSA-N
XLogP1.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid?
The IUPAC name of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid (CID 57026910) is 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid is C=C(CCCOCCC1OCCO1)C(=O)O.
What is the InChIKey of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid?
The InChIKey is BIESXAZPYVGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(11(12)13)3-2-5-14-6-4-10-15-7-8-16-10/h10H,1-8H2,(H,12,13).
What are the key properties of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid?
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylidenepentanoic acid is sourced from PubChem (CID 57026910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).