3-pentan-3-yloxypentane

C10H22O — CID 19819093

IUPAC3-pentan-3-yloxypentane
SMILESCCC(CC)OC(CC)CC
InChIInChI=1S/C10H22O/c1-5-9(6-2)11-10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyQPLGKBMWKLWTHG-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds6

About 3-pentan-3-yloxypentane

3-pentan-3-yloxypentane (PubChem CID 19819093) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-pentan-3-yloxypentane.

Molecular Properties

Compound Name3-pentan-3-yloxypentane
PubChem CID19819093
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-pentan-3-yloxypentane
SMILESCCC(CC)OC(CC)CC
InChIInChI=1S/C10H22O/c1-5-9(6-2)11-10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyQPLGKBMWKLWTHG-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yloxypentane?
The IUPAC name of 3-pentan-3-yloxypentane (CID 19819093) is 3-pentan-3-yloxypentane.
What is the SMILES notation for 3-pentan-3-yloxypentane?
The canonical SMILES for 3-pentan-3-yloxypentane is CCC(CC)OC(CC)CC.
What is the InChIKey of 3-pentan-3-yloxypentane?
The InChIKey is QPLGKBMWKLWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-9(6-2)11-10(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-pentan-3-yloxypentane?
3-pentan-3-yloxypentane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yloxypentane is sourced from PubChem (CID 19819093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).