but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid

C10H18O4 — CID 143558551

IUPACbut-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESC=CCC.CC1(CC(=O)O)OCCO1
InChIInChI=1S/C6H10O4.C4H8/c1-6(4-5(7)8)9-2-3-10-6;1-3-4-2/h2-4H2,1H3,(H,7,8);3H,1,4H2,2H3
InChIKeyXIHLZJFUZUBHSV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.81
Rot. Bonds3

About but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid

but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 143558551) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Namebut-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID143558551
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namebut-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESC=CCC.CC1(CC(=O)O)OCCO1
InChIInChI=1S/C6H10O4.C4H8/c1-6(4-5(7)8)9-2-3-10-6;1-3-4-2/h2-4H2,1H3,(H,7,8);3H,1,4H2,2H3
InChIKeyXIHLZJFUZUBHSV-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid (CID 143558551) is but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid is C=CCC.CC1(CC(=O)O)OCCO1.
What is the InChIKey of but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is XIHLZJFUZUBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H8/c1-6(4-5(7)8)9-2-3-10-6;1-3-4-2/h2-4H2,1H3,(H,7,8);3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-(2-methyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 143558551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).