2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid

C12H18O4 — CID 10466253

IUPAC2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
SMILESO=C(O)CC1(CC/C=C\C2CC2)OCCO1
InChIInChI=1S/C12H18O4/c13-11(14)9-12(15-7-8-16-12)6-2-1-3-10-4-5-10/h1,3,10H,2,4-9H2,(H,13,14)/b3-1-
InChIKeyUOWBUTVZTLPSGH-IWQZZHSRSA-N
MW226.27 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid

2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid (PubChem CID 10466253) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
PubChem CID10466253
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
SMILESO=C(O)CC1(CC/C=C\C2CC2)OCCO1
InChIInChI=1S/C12H18O4/c13-11(14)9-12(15-7-8-16-12)6-2-1-3-10-4-5-10/h1,3,10H,2,4-9H2,(H,13,14)/b3-1-
InChIKeyUOWBUTVZTLPSGH-IWQZZHSRSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic 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

Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11789092
2-(2-But-3-enyl-1,3-dioxolan-2-yl)acetic acid
CID 14545748
2-[2-[(E)-5-oxohex-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135038766
2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]acetic acid
CID 60124911
(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 163508371
2-[2-[(E)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 9991278
ethyl 2-[2-[(E)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetate
CID 10060876
ethyl 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetate
CID 10060877
Methyl [2-(4-methylpent-3-en-1-yl)-1,3-dioxolan-2-yl]acetate
CID 14448249
2-(2-Cyclohex-3-en-1-yl-1,3-dioxolan-2-yl)acetic acid
CID 129988982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid?
The IUPAC name of 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid (CID 10466253) is 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid?
The canonical SMILES for 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid is O=C(O)CC1(CC/C=C\C2CC2)OCCO1.
What is the InChIKey of 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid?
The InChIKey is UOWBUTVZTLPSGH-IWQZZHSRSA-N. The full InChI is InChI=1S/C12H18O4/c13-11(14)9-12(15-7-8-16-12)6-2-1-3-10-4-5-10/h1,3,10H,2,4-9H2,(H,13,14)/b3-1-.
What are the key properties of 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid?
2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid has a molecular weight of 226.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-4-cyclopropylbut-3-enyl]-1,3-dioxolan-2-yl]acetic acid is sourced from PubChem (CID 10466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).