5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one

C8H14O3 — CID 73236280

IUPAC5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
SMILESCCC1OC(C(C)C)OC1=O
InChIInChI=1S/C8H14O3/c1-4-6-7(9)11-8(10-6)5(2)3/h5-6,8H,4H2,1-3H3
InChIKeySLQUYCBWCJUUBX-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.32
Rot. Bonds2

About 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one

5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one (PubChem CID 73236280) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
PubChem CID73236280
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
SMILESCCC1OC(C(C)C)OC1=O
InChIInChI=1S/C8H14O3/c1-4-6-7(9)11-8(10-6)5(2)3/h5-6,8H,4H2,1-3H3
InChIKeySLQUYCBWCJUUBX-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyloxiran-2-one
CID 21297762
5-ethyl-3-methyloxolane-2,4-dione
CID 77476558
(2S,5R,6R)-6-methyl-5-(phenylsulfanylmethyl)-2-propan-2-yl-1,3-dioxan-4-one
CID 10850368
(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one
CID 55301328
3-amino-5-ethyl-1,3-oxazolidine-2,4-dione
CID 122664066
6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
CID 131857238
(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
CID 93499117
2-propan-2-yl-1,3-dioxolan-4-one
CID 11819105
(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
2,5-diethyl-1,3-dioxane-4,6-dione
CID 162700878
4-(1-fluoroethyl)-1,3-dioxetan-2-one
CID 175470122
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one?
The IUPAC name of 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one (CID 73236280) is 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one is CCC1OC(C(C)C)OC1=O.
What is the InChIKey of 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one?
The InChIKey is SLQUYCBWCJUUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-7(9)11-8(10-6)5(2)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one?
5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one has a molecular weight of 158.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 73236280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).