4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde

C7H10O3 — CID 174507090

IUPAC4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
SMILESC=C1OC(C=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-5-7(2,3)10-6(4-8)9-5/h4,6H,1H2,2-3H3
InChIKeyRRTWODCRYUCOPH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde

4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde (PubChem CID 174507090) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
PubChem CID174507090
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
SMILESC=C1OC(C=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-5-7(2,3)10-6(4-8)9-5/h4,6H,1H2,2-3H3
InChIKeyRRTWODCRYUCOPH-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174557569
5,5-dimethyl-4-methylidene-1,3-dioxane-2-carbaldehyde
CID 174828016
4,4-dimethyl-1,3-dioxetane-2-carbaldehyde
CID 23218533
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
CID 174286882
2,2,4,4-tetramethyl-5-methylidene-1,3-dioxolane
CID 12741657
1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
4,5-dipropyl-1,3-dioxole-2-carbaldehyde
CID 174516284
2,2-dimethyl-5-oxo-1,3-dioxolane-4-carbaldehyde
CID 174444496
2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde
CID 10559741
(3aS,4S,7aS)-3a,5,5-trimethyl-3-methylidene-4,6,7,7a-tetrahydro-1-benzofuran-4-carbaldehyde
CID 11031054
3,3-dimethyl-1H-2-benzofuran-1-carbaldehyde
CID 175560002

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde (CID 174507090) is 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde is C=C1OC(C=O)OC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The InChIKey is RRTWODCRYUCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-7(2,3)10-6(4-8)9-5/h4,6H,1H2,2-3H3.
What are the key properties of 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174507090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).