5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

C10H16O3 — CID 76789554

IUPAC5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=CC1OC(CC)(CC)OC1C=O
InChIInChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyHYDKBTNHACKWLR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 76789554) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID76789554
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=CC1OC(CC)(CC)OC1C=O
InChIInChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyHYDKBTNHACKWLR-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde 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

(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 15632545
(4R,5R)-2,2-Dimethyl-5-vinyl-1,3-dioxolane-4-carbaldehyde
CID 10103376
(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14188253
(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 24770450
1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone
CID 10889535
(4S,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolane-4-carbaldehyde
CID 10922676
5-Ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14188252
(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolane-4-carbaldehyde
CID 22849707
(5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 57620271
(4S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 57620275
(5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58451170
(4S,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carbaldehyde
CID 59482149

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (CID 76789554) is 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is C=CC1OC(CC)(CC)OC1C=O.
What is the InChIKey of 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is HYDKBTNHACKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 76789554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).