2,2-diethyl-1,3-dioxolane;pentan-3-one

C12H24O3 — CID 161116524

IUPAC2,2-diethyl-1,3-dioxolane;pentan-3-one
SMILESCCC(=O)CC.CCC1(CC)OCCO1
InChIInChI=1S/C7H14O2.C5H10O/c1-3-7(4-2)8-5-6-9-7;1-3-5(6)4-2/h3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyUKJUTYLLWMPYKG-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.92
Rot. Bonds4

About 2,2-diethyl-1,3-dioxolane;pentan-3-one

2,2-diethyl-1,3-dioxolane;pentan-3-one (PubChem CID 161116524) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-diethyl-1,3-dioxolane;pentan-3-one.

Molecular Properties

Compound Name2,2-diethyl-1,3-dioxolane;pentan-3-one
PubChem CID161116524
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,2-diethyl-1,3-dioxolane;pentan-3-one
SMILESCCC(=O)CC.CCC1(CC)OCCO1
InChIInChI=1S/C7H14O2.C5H10O/c1-3-7(4-2)8-5-6-9-7;1-3-5(6)4-2/h3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyUKJUTYLLWMPYKG-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
CID 178148401
2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
CID 13085716
2-ethyl-2-(iodomethyl)-1,3-dioxolane
CID 13331255
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
2-methylprop-1-ene;pentan-3-one
CID 174897916
ethane-1,2-diol;pentan-3-one
CID 87374843
benzene;pentan-3-one
CID 67378865
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
hexane-2,4-dione;platinum
CID 161447923
6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
CID 86761418
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,3-dioxolane;pentan-3-one?
The IUPAC name of 2,2-diethyl-1,3-dioxolane;pentan-3-one (CID 161116524) is 2,2-diethyl-1,3-dioxolane;pentan-3-one.
What is the SMILES notation for 2,2-diethyl-1,3-dioxolane;pentan-3-one?
The canonical SMILES for 2,2-diethyl-1,3-dioxolane;pentan-3-one is CCC(=O)CC.CCC1(CC)OCCO1.
What is the InChIKey of 2,2-diethyl-1,3-dioxolane;pentan-3-one?
The InChIKey is UKJUTYLLWMPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C5H10O/c1-3-7(4-2)8-5-6-9-7;1-3-5(6)4-2/h3-6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 2,2-diethyl-1,3-dioxolane;pentan-3-one?
2,2-diethyl-1,3-dioxolane;pentan-3-one has a molecular weight of 216.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,3-dioxolane;pentan-3-one is sourced from PubChem (CID 161116524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).