2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one

C10H16O3 — CID 10241484

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCC1OCCO1
InChIInChI=1S/C10H16O3/c11-9-3-1-2-8(9)4-5-10-12-6-7-13-10/h8,10H,1-7H2
InChIKeyYMFHYTPMWATDBX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds3

About 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one

2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one (PubChem CID 10241484) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
PubChem CID10241484
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCC1OCCO1
InChIInChI=1S/C10H16O3/c11-9-3-1-2-8(9)4-5-10-12-6-7-13-10/h8,10H,1-7H2
InChIKeyYMFHYTPMWATDBX-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one (CID 10241484) is 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one is O=C1CCCC1CCC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
The InChIKey is YMFHYTPMWATDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-3-1-2-8(9)4-5-10-12-6-7-13-10/h8,10H,1-7H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one?
2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one has a molecular weight of 184.23 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 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 10241484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).