2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid

C7H10O4 — CID 146306901

IUPAC2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
SMILESC=C(CC1COCO1)C(=O)O
InChIInChI=1S/C7H10O4/c1-5(7(8)9)2-6-3-10-4-11-6/h6H,1-4H2,(H,8,9)
InChIKeyBWEONCCYRFHLBP-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.39
Rot. Bonds3

About 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid

2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid (PubChem CID 146306901) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
PubChem CID146306901
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
SMILESC=C(CC1COCO1)C(=O)O
InChIInChI=1S/C7H10O4/c1-5(7(8)9)2-6-3-10-4-11-6/h6H,1-4H2,(H,8,9)
InChIKeyBWEONCCYRFHLBP-UHFFFAOYSA-N
XLogP0.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
CID 174976815
2-methylbut-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173148630
4-(1,3-dioxolan-4-yl)-3,3-dimethyl-2-methylidenebutanoic acid
CID 67696240
2-methyl-4-(oxiran-2-yl)but-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173299957
2-(oxan-4-ylmethyl)prop-2-enoic acid
CID 117266880
4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid
CID 70376584
2-(1,4-dioxan-2-yl)acetic acid
CID 18469226
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387
2-(oxiran-2-ylmethyl)prop-2-enoyl isocyanate
CID 174529273
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
CID 59677627
CID 59677627
4-ethyl-1,3-dioxolane;methane
CID 158064342

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid?
The IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid (CID 146306901) is 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid is C=C(CC1COCO1)C(=O)O.
What is the InChIKey of 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid?
The InChIKey is BWEONCCYRFHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(7(8)9)2-6-3-10-4-11-6/h6H,1-4H2,(H,8,9).
What are the key properties of 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid?
2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid has a molecular weight of 158.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid is sourced from PubChem (CID 146306901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).