2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one

C9H14O3 — CID 10442115

IUPAC2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CC1OCCO1
InChIInChI=1S/C9H14O3/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h7,9H,1-6H2
InChIKeyKEIHWSWSKVXGFR-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds2

About 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one

2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one (PubChem CID 10442115) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one
PubChem CID10442115
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CC1OCCO1
InChIInChI=1S/C9H14O3/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h7,9H,1-6H2
InChIKeyKEIHWSWSKVXGFR-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one (CID 10442115) is 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one is O=C1CCCC1CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one?
The InChIKey is KEIHWSWSKVXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h7,9H,1-6H2.
What are the key properties of 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one?
2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 10442115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).