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

C9H16O3 — CID 10419628

IUPAC5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C9H16O3/c1-8(10)4-3-5-9(2)11-6-7-12-9/h3-7H2,1-2H3
InChIKeyKDOFXENMXVYCEJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds4

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

5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 10419628) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID10419628
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C9H16O3/c1-8(10)4-3-5-9(2)11-6-7-12-9/h3-7H2,1-2H3
InChIKeyKDOFXENMXVYCEJ-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (CID 10419628) is 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is CC(=O)CCCC1(C)OCCO1.
What is the InChIKey of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is KDOFXENMXVYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(10)4-3-5-9(2)11-6-7-12-9/h3-7H2,1-2H3.
What are the key properties of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 10419628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).