5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

C19H34O5 — CID 58940474

IUPAC5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1(CC)OCC(C(C)C(C)C2OC(CC)(CC)OC2C=O)O1
InChIInChI=1S/C19H34O5/c1-7-18(8-2)21-12-16(23-18)13(5)14(6)17-15(11-20)22-19(9-3,10-4)24-17/h11,13-17H,7-10,12H2,1-6H3
InChIKeyVJHLOYFFUDEKKC-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.69
Rot. Bonds8

About 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 58940474) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID58940474
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1(CC)OCC(C(C)C(C)C2OC(CC)(CC)OC2C=O)O1
InChIInChI=1S/C19H34O5/c1-7-18(8-2)21-12-16(23-18)13(5)14(6)17-15(11-20)22-19(9-3,10-4)24-17/h11,13-17H,7-10,12H2,1-6H3
InChIKeyVJHLOYFFUDEKKC-UHFFFAOYSA-N
XLogP3.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (CID 58940474) is 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is CCC1(CC)OCC(C(C)C(C)C2OC(CC)(CC)OC2C=O)O1.
What is the InChIKey of 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is VJHLOYFFUDEKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c1-7-18(8-2)21-12-16(23-18)13(5)14(6)17-15(11-20)22-19(9-3,10-4)24-17/h11,13-17H,7-10,12H2,1-6H3.
What are the key properties of 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 342.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 58940474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).