3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

C10H16O4 — CID 11788879

IUPAC3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCC(=O)O
InChIInChI=1S/C10H16O4/c1-4-7-8(5-6-9(11)12)14-10(2,3)13-7/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyVITSFURXRFGFGD-YUMQZZPRSA-N
MW200.23 g/mol
LogP1.56
Rot. Bonds4

About 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 11788879) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
PubChem CID11788879
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCC(=O)O
InChIInChI=1S/C10H16O4/c1-4-7-8(5-6-9(11)12)14-10(2,3)13-7/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyVITSFURXRFGFGD-YUMQZZPRSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic 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 3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 14932710
Ethyl 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 72741386
Methyl 4-((4S,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)butanoate
CID 102475808
[(4S,5S)-5-(methoxymethoxy)undec-1-en-4-yl] 3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11338910
Ctk1C7303
CID 11435582
(5s,6r)-5,6-Diacetoxyoct-7-enoic acid
CID 23730463
ethyl (4S)-4-[(4S,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenebutanoate
CID 45101603
(5R)-5-[(E,1R)-1-hydroxy-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]prop-2-enyl]oxolan-2-one
CID 134846911
(5R)-5-[(E,1R)-1-hydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]prop-2-enyl]oxolan-2-one
CID 134861995
ethyl 3-[(4S,5S)-5-[(Z)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 10784296
[(4R,5R)-5-(methoxymethoxy)undec-1-en-4-yl] 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11475442
3-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 72960831

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (CID 11788879) is 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is C=C[C@@H]1OC(C)(C)O[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is VITSFURXRFGFGD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7-8(5-6-9(11)12)14-10(2,3)13-7/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 11788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).