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

C11H18O5 — CID 67828627

IUPAC5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
SMILESCC(=CCCOCCC1OCCO1)C(=O)O
InChIInChI=1S/C11H18O5/c1-9(11(12)13)3-2-5-14-6-4-10-15-7-8-16-10/h3,10H,2,4-8H2,1H3,(H,12,13)
InChIKeyUVCOCQATXAWNDU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.19
Rot. Bonds7

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

5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid (PubChem CID 67828627) 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-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
PubChem CID67828627
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
SMILESCC(=CCCOCCC1OCCO1)C(=O)O
InChIInChI=1S/C11H18O5/c1-9(11(12)13)3-2-5-14-6-4-10-15-7-8-16-10/h3,10H,2,4-8H2,1H3,(H,12,13)
InChIKeyUVCOCQATXAWNDU-UHFFFAOYSA-N
XLogP1.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 173097530
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
2-methyl-5-sulfanyloxypent-2-enoic acid
CID 57297654
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
(E)-2-methyl-12-(oxiran-2-yl)dodec-2-enoic acid
CID 87113705
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
CID 104563941
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
2-methyl-7-propoxyhept-2-enoic acid
CID 123969455
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid?
The IUPAC name of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid (CID 67828627) is 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid?
The canonical SMILES for 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid is CC(=CCCOCCC1OCCO1)C(=O)O.
What is the InChIKey of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid?
The InChIKey is UVCOCQATXAWNDU-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/h3,10H,2,4-8H2,1H3,(H,12,13).
What are the key properties of 5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid?
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.19, 7 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-methylpent-2-enoic acid is sourced from PubChem (CID 67828627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).