2,2-dimethyl-5-pentyloxolane

C11H22O — CID 24973903

IUPAC2,2-dimethyl-5-pentyloxolane
SMILESCCCCCC1CCC(C)(C)O1
InChIInChI=1S/C11H22O/c1-4-5-6-7-10-8-9-11(2,3)12-10/h10H,4-9H2,1-3H3
InChIKeyMOIIWKQXQYQQQO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.52
Rot. Bonds4

About 2,2-dimethyl-5-pentyloxolane

2,2-dimethyl-5-pentyloxolane (PubChem CID 24973903) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-pentyloxolane.

Molecular Properties

Compound Name2,2-dimethyl-5-pentyloxolane
PubChem CID24973903
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2-dimethyl-5-pentyloxolane
SMILESCCCCCC1CCC(C)(C)O1
InChIInChI=1S/C11H22O/c1-4-5-6-7-10-8-9-11(2,3)12-10/h10H,4-9H2,1-3H3
InChIKeyMOIIWKQXQYQQQO-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pentyloxolane?
The IUPAC name of 2,2-dimethyl-5-pentyloxolane (CID 24973903) is 2,2-dimethyl-5-pentyloxolane.
What is the SMILES notation for 2,2-dimethyl-5-pentyloxolane?
The canonical SMILES for 2,2-dimethyl-5-pentyloxolane is CCCCCC1CCC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-pentyloxolane?
The InChIKey is MOIIWKQXQYQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-5-6-7-10-8-9-11(2,3)12-10/h10H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-pentyloxolane?
2,2-dimethyl-5-pentyloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pentyloxolane is sourced from PubChem (CID 24973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).