(3-acetyloxycyclopenten-1-yl) propanoate

C10H14O4 — CID 175261459

IUPAC(3-acetyloxycyclopenten-1-yl) propanoate
SMILESCCC(=O)OC1=CC(OC(C)=O)CC1
InChIInChI=1S/C10H14O4/c1-3-10(12)14-9-5-4-8(6-9)13-7(2)11/h6,8H,3-5H2,1-2H3
InChIKeyGVSMUGRVJMVDCW-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.55
Rot. Bonds3

About (3-acetyloxycyclopenten-1-yl) propanoate

(3-acetyloxycyclopenten-1-yl) propanoate (PubChem CID 175261459) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3-acetyloxycyclopenten-1-yl) propanoate.

Molecular Properties

Compound Name(3-acetyloxycyclopenten-1-yl) propanoate
PubChem CID175261459
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3-acetyloxycyclopenten-1-yl) propanoate
SMILESCCC(=O)OC1=CC(OC(C)=O)CC1
InChIInChI=1S/C10H14O4/c1-3-10(12)14-9-5-4-8(6-9)13-7(2)11/h6,8H,3-5H2,1-2H3
InChIKeyGVSMUGRVJMVDCW-UHFFFAOYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxycyclopenten-1-yl) propanoate?
The IUPAC name of (3-acetyloxycyclopenten-1-yl) propanoate (CID 175261459) is (3-acetyloxycyclopenten-1-yl) propanoate.
What is the SMILES notation for (3-acetyloxycyclopenten-1-yl) propanoate?
The canonical SMILES for (3-acetyloxycyclopenten-1-yl) propanoate is CCC(=O)OC1=CC(OC(C)=O)CC1.
What is the InChIKey of (3-acetyloxycyclopenten-1-yl) propanoate?
The InChIKey is GVSMUGRVJMVDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-10(12)14-9-5-4-8(6-9)13-7(2)11/h6,8H,3-5H2,1-2H3.
What are the key properties of (3-acetyloxycyclopenten-1-yl) propanoate?
(3-acetyloxycyclopenten-1-yl) propanoate has a molecular weight of 198.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxycyclopenten-1-yl) propanoate is sourced from PubChem (CID 175261459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).