2-methyl-5-pentyloxolane

C10H20O — CID 558919

IUPAC2-methyl-5-pentyloxolane
SMILESCCCCCC1CCC(C)O1
InChIInChI=1S/C10H20O/c1-3-4-5-6-10-8-7-9(2)11-10/h9-10H,3-8H2,1-2H3
InChIKeyYXBVLMCHNUHELZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-5-pentyloxolane

2-methyl-5-pentyloxolane (PubChem CID 558919) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-5-pentyloxolane.

Molecular Properties

Compound Name2-methyl-5-pentyloxolane
PubChem CID558919
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methyl-5-pentyloxolane
SMILESCCCCCC1CCC(C)O1
InChIInChI=1S/C10H20O/c1-3-4-5-6-10-8-7-9(2)11-10/h9-10H,3-8H2,1-2H3
InChIKeyYXBVLMCHNUHELZ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
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-methyl-5-pentyloxolane?
The IUPAC name of 2-methyl-5-pentyloxolane (CID 558919) is 2-methyl-5-pentyloxolane.
What is the SMILES notation for 2-methyl-5-pentyloxolane?
The canonical SMILES for 2-methyl-5-pentyloxolane is CCCCCC1CCC(C)O1.
What is the InChIKey of 2-methyl-5-pentyloxolane?
The InChIKey is YXBVLMCHNUHELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-4-5-6-10-8-7-9(2)11-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-pentyloxolane?
2-methyl-5-pentyloxolane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentyloxolane is sourced from PubChem (CID 558919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).