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

C9H14O3 — CID 174557569

IUPAC4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
SMILESC=C1OC(C=O)OC1(CC)CC
InChIInChI=1S/C9H14O3/c1-4-9(5-2)7(3)11-8(6-10)12-9/h6,8H,3-5H2,1-2H3
InChIKeyFUGOPFIZFLYKEF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds3

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

4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde (PubChem CID 174557569) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
PubChem CID174557569
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
SMILESC=C1OC(C=O)OC1(CC)CC
InChIInChI=1S/C9H14O3/c1-4-9(5-2)7(3)11-8(6-10)12-9/h6,8H,3-5H2,1-2H3
InChIKeyFUGOPFIZFLYKEF-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
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-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174507090
5,5-dimethyl-4-methylidene-1,3-dioxane-2-carbaldehyde
CID 174828016
4,5-dipropyl-1,3-dioxole-2-carbaldehyde
CID 174516284
4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde
CID 174690239
4,4-dimethyl-1,3-dioxetane-2-carbaldehyde
CID 23218533
4-hexyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174828507
5-ethyl-5-phenyl-1,3-dioxane-2-carbaldehyde
CID 174828336
4-butyl-1,3-dioxole-2-carbaldehyde
CID 174516282
1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
3-ethyl-3,4-dimethyloxetan-2-one
CID 87128552
3-butan-2-yl-4-oxooxetane-2-carbaldehyde
CID 130035577
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde (CID 174557569) is 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde is C=C1OC(C=O)OC1(CC)CC.
What is the InChIKey of 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
The InChIKey is FUGOPFIZFLYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-9(5-2)7(3)11-8(6-10)12-9/h6,8H,3-5H2,1-2H3.
What are the key properties of 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde?
4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174557569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).