5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one

C10H18O3 — CID 21388062

IUPAC5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1(C)OCC(C)O1
InChIInChI=1S/C10H18O3/c1-8(11)5-4-6-10(3)12-7-9(2)13-10/h9H,4-7H2,1-3H3
InChIKeyILSZVKBCKKQOKX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds4

About 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one

5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 21388062) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID21388062
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1(C)OCC(C)O1
InChIInChI=1S/C10H18O3/c1-8(11)5-4-6-10(3)12-7-9(2)13-10/h9H,4-7H2,1-3H3
InChIKeyILSZVKBCKKQOKX-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one (CID 21388062) is 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one is CC(=O)CCCC1(C)OCC(C)O1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is ILSZVKBCKKQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(11)5-4-6-10(3)12-7-9(2)13-10/h9H,4-7H2,1-3H3.
What are the key properties of 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one?
5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 21388062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).