1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one

C8H14O3 — CID 178148401

IUPAC1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCCC1(CC(C)=O)OCCO1
InChIInChI=1S/C8H14O3/c1-3-8(6-7(2)9)10-4-5-11-8/h3-6H2,1-2H3
InChIKeyPHLPFMTZXIJFLL-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one

1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one (PubChem CID 178148401) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
PubChem CID178148401
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCCC1(CC(C)=O)OCCO1
InChIInChI=1S/C8H14O3/c1-3-8(6-7(2)9)10-4-5-11-8/h3-6H2,1-2H3
InChIKeyPHLPFMTZXIJFLL-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
CID 13085716
2,2-diethyl-1,3-dioxolane;pentan-3-one
CID 161116524
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
2-ethyl-2-(iodomethyl)-1,3-dioxolane
CID 13331255
1-(2-ethyl-1,3-dithiolan-2-yl)propan-2-one
CID 14111946
methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
CID 167660733
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
2-[2-(chloromethyl)-1,3-dioxolan-2-yl]acetic acid
CID 19090067
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-[2-(3-oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
CID 71390522
6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
CID 86761418
2-(9-bromononyl)-2-ethyl-1,3-dioxolane
CID 10852234

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one?
The IUPAC name of 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one (CID 178148401) is 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one is CCC1(CC(C)=O)OCCO1.
What is the InChIKey of 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one?
The InChIKey is PHLPFMTZXIJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(6-7(2)9)10-4-5-11-8/h3-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one?
1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one is sourced from PubChem (CID 178148401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).