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

C19H36O4 — CID 58940120

IUPAC4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane
SMILESCCC1OC(CC)(CC)OC1C(C)CC1COC(CC)(CC)O1
InChIInChI=1S/C19H36O4/c1-7-16-17(23-19(10-4,11-5)22-16)14(6)12-15-13-20-18(8-2,9-3)21-15/h14-17H,7-13H2,1-6H3
InChIKeyBFNCAOUJVZFQCL-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.65
Rot. Bonds8

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

4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane (PubChem CID 58940120) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane
PubChem CID58940120
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane
SMILESCCC1OC(CC)(CC)OC1C(C)CC1COC(CC)(CC)O1
InChIInChI=1S/C19H36O4/c1-7-16-17(23-19(10-4,11-5)22-16)14(6)12-15-13-20-18(8-2,9-3)21-15/h14-17H,7-13H2,1-6H3
InChIKeyBFNCAOUJVZFQCL-UHFFFAOYSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane?
The IUPAC name of 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane (CID 58940120) is 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane.
What is the SMILES notation for 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane?
The canonical SMILES for 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane is CCC1OC(CC)(CC)OC1C(C)CC1COC(CC)(CC)O1.
What is the InChIKey of 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane?
The InChIKey is BFNCAOUJVZFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-7-16-17(23-19(10-4,11-5)22-16)14(6)12-15-13-20-18(8-2,9-3)21-15/h14-17H,7-13H2,1-6H3.
What are the key properties of 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane?
4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane has a molecular weight of 328.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2,5-triethyl-1,3-dioxolane is sourced from PubChem (CID 58940120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).