cyclopropane;oxan-4-yl acetate

C10H18O3 — CID 69401848

IUPACcyclopropane;oxan-4-yl acetate
SMILESC1CC1.CC(=O)OC1CCOCC1
InChIInChI=1S/C7H12O3.C3H6/c1-6(8)10-7-2-4-9-5-3-7;1-2-3-1/h7H,2-5H2,1H3;1-3H2
InChIKeyMIUFPLJTRUAKEB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds1

About cyclopropane;oxan-4-yl acetate

cyclopropane;oxan-4-yl acetate (PubChem CID 69401848) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclopropane;oxan-4-yl acetate.

Molecular Properties

Compound Namecyclopropane;oxan-4-yl acetate
PubChem CID69401848
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclopropane;oxan-4-yl acetate
SMILESC1CC1.CC(=O)OC1CCOCC1
InChIInChI=1S/C7H12O3.C3H6/c1-6(8)10-7-2-4-9-5-3-7;1-2-3-1/h7H,2-5H2,1H3;1-3H2
InChIKeyMIUFPLJTRUAKEB-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 cyclopropane;oxan-4-yl acetate?
The IUPAC name of cyclopropane;oxan-4-yl acetate (CID 69401848) is cyclopropane;oxan-4-yl acetate.
What is the SMILES notation for cyclopropane;oxan-4-yl acetate?
The canonical SMILES for cyclopropane;oxan-4-yl acetate is C1CC1.CC(=O)OC1CCOCC1.
What is the InChIKey of cyclopropane;oxan-4-yl acetate?
The InChIKey is MIUFPLJTRUAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H6/c1-6(8)10-7-2-4-9-5-3-7;1-2-3-1/h7H,2-5H2,1H3;1-3H2.
What are the key properties of cyclopropane;oxan-4-yl acetate?
cyclopropane;oxan-4-yl acetate has a molecular weight of 186.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;oxan-4-yl acetate is sourced from PubChem (CID 69401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).