3-pentan-2-yloxane

C10H20O — CID 12508262

IUPAC3-pentan-2-yloxane
SMILESCCCC(C)C1CCCOC1
InChIInChI=1S/C10H20O/c1-3-5-9(2)10-6-4-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNAIXYLAHDJAKBD-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds3

About 3-pentan-2-yloxane

3-pentan-2-yloxane (PubChem CID 12508262) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-pentan-2-yloxane.

Molecular Properties

Compound Name3-pentan-2-yloxane
PubChem CID12508262
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-pentan-2-yloxane
SMILESCCCC(C)C1CCCOC1
InChIInChI=1S/C10H20O/c1-3-5-9(2)10-6-4-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNAIXYLAHDJAKBD-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxane?
The IUPAC name of 3-pentan-2-yloxane (CID 12508262) is 3-pentan-2-yloxane.
What is the SMILES notation for 3-pentan-2-yloxane?
The canonical SMILES for 3-pentan-2-yloxane is CCCC(C)C1CCCOC1.
What is the InChIKey of 3-pentan-2-yloxane?
The InChIKey is NAIXYLAHDJAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-9(2)10-6-4-7-11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-pentan-2-yloxane?
3-pentan-2-yloxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxane is sourced from PubChem (CID 12508262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).