1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one

C8H14O3 — CID 11105628

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one
SMILESCCC(=O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h7H,4-5H2,1-3H3
InChIKeyRBOMKKQTFJZZDN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one

1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one (PubChem CID 11105628) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one
PubChem CID11105628
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one
SMILESCCC(=O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h7H,4-5H2,1-3H3
InChIKeyRBOMKKQTFJZZDN-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one (CID 11105628) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one is CCC(=O)C1COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one?
The InChIKey is RBOMKKQTFJZZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h7H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one has a molecular weight of 158.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one is sourced from PubChem (CID 11105628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).