propan-2-yl 2-(oxolan-2-yl)acetate

C9H16O3 — CID 60768696

IUPACpropan-2-yl 2-(oxolan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCO1
InChIInChI=1S/C9H16O3/c1-7(2)12-9(10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyPDYBXMBMDQBXKT-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds3

About propan-2-yl 2-(oxolan-2-yl)acetate

propan-2-yl 2-(oxolan-2-yl)acetate (PubChem CID 60768696) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is propan-2-yl 2-(oxolan-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(oxolan-2-yl)acetate
PubChem CID60768696
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namepropan-2-yl 2-(oxolan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCO1
InChIInChI=1S/C9H16O3/c1-7(2)12-9(10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyPDYBXMBMDQBXKT-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 propan-2-yl 2-(oxolan-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(oxolan-2-yl)acetate (CID 60768696) is propan-2-yl 2-(oxolan-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(oxolan-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(oxolan-2-yl)acetate is CC(C)OC(=O)CC1CCCO1.
What is the InChIKey of propan-2-yl 2-(oxolan-2-yl)acetate?
The InChIKey is PDYBXMBMDQBXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)12-9(10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-(oxolan-2-yl)acetate?
propan-2-yl 2-(oxolan-2-yl)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(oxolan-2-yl)acetate is sourced from PubChem (CID 60768696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).