2,2-dimethyl-5-pentyloxolan-3-one

C11H20O2 — CID 67724858

IUPAC2,2-dimethyl-5-pentyloxolan-3-one
SMILESCCCCCC1CC(=O)C(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-9-8-10(12)11(2,3)13-9/h9H,4-8H2,1-3H3
InChIKeyVUNNQUKNDHURPC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds4

About 2,2-dimethyl-5-pentyloxolan-3-one

2,2-dimethyl-5-pentyloxolan-3-one (PubChem CID 67724858) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-pentyloxolan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-pentyloxolan-3-one
PubChem CID67724858
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-dimethyl-5-pentyloxolan-3-one
SMILESCCCCCC1CC(=O)C(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-9-8-10(12)11(2,3)13-9/h9H,4-8H2,1-3H3
InChIKeyVUNNQUKNDHURPC-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-pentyloxolan-3-one?
The IUPAC name of 2,2-dimethyl-5-pentyloxolan-3-one (CID 67724858) is 2,2-dimethyl-5-pentyloxolan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-pentyloxolan-3-one?
The canonical SMILES for 2,2-dimethyl-5-pentyloxolan-3-one is CCCCCC1CC(=O)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-pentyloxolan-3-one?
The InChIKey is VUNNQUKNDHURPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-9-8-10(12)11(2,3)13-9/h9H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-pentyloxolan-3-one?
2,2-dimethyl-5-pentyloxolan-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pentyloxolan-3-one is sourced from PubChem (CID 67724858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).