1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one

C8H12O3 — CID 11182737

IUPAC1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one
SMILESC=CC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H12O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,7H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyKJZXYHHSVOLPQZ-SSDOTTSWSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one (PubChem CID 11182737) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one
PubChem CID11182737
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one
SMILESC=CC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H12O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,7H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyKJZXYHHSVOLPQZ-SSDOTTSWSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one (CID 11182737) is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one is C=CC(=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one?
The InChIKey is KJZXYHHSVOLPQZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,7H,1,5H2,2-3H3/t7-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one?
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one is sourced from PubChem (CID 11182737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).