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

C18H32O5 — CID 58940243

IUPAC5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1(CC)OCC(CC(C)C2OC(CC)(CC)OC2C=O)O1
InChIInChI=1S/C18H32O5/c1-6-17(7-2)20-12-14(21-17)10-13(5)16-15(11-19)22-18(8-3,9-4)23-16/h11,13-16H,6-10,12H2,1-5H3
InChIKeyYKLVSKUFBZDVOE-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.44
Rot. Bonds8

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

5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 58940243) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID58940243
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1(CC)OCC(CC(C)C2OC(CC)(CC)OC2C=O)O1
InChIInChI=1S/C18H32O5/c1-6-17(7-2)20-12-14(21-17)10-13(5)16-15(11-19)22-18(8-3,9-4)23-16/h11,13-16H,6-10,12H2,1-5H3
InChIKeyYKLVSKUFBZDVOE-UHFFFAOYSA-N
XLogP3.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.44
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-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (CID 58940243) is 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is CCC1(CC)OCC(CC(C)C2OC(CC)(CC)OC2C=O)O1.
What is the InChIKey of 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is YKLVSKUFBZDVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c1-6-17(7-2)20-12-14(21-17)10-13(5)16-15(11-19)22-18(8-3,9-4)23-16/h11,13-16H,6-10,12H2,1-5H3.
What are the key properties of 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 328.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 58940243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).