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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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).