3-methyl-3-propoxypentane

C9H20O — CID 90692927

IUPAC3-methyl-3-propoxypentane
SMILESCCCOC(C)(CC)CC
InChIInChI=1S/C9H20O/c1-5-8-10-9(4,6-2)7-3/h5-8H2,1-4H3
InChIKeyAYARPFNEZCVOHL-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds5

About 3-methyl-3-propoxypentane

3-methyl-3-propoxypentane (PubChem CID 90692927) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-methyl-3-propoxypentane.

Molecular Properties

Compound Name3-methyl-3-propoxypentane
PubChem CID90692927
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-methyl-3-propoxypentane
SMILESCCCOC(C)(CC)CC
InChIInChI=1S/C9H20O/c1-5-8-10-9(4,6-2)7-3/h5-8H2,1-4H3
InChIKeyAYARPFNEZCVOHL-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propoxypentane?
The IUPAC name of 3-methyl-3-propoxypentane (CID 90692927) is 3-methyl-3-propoxypentane.
What is the SMILES notation for 3-methyl-3-propoxypentane?
The canonical SMILES for 3-methyl-3-propoxypentane is CCCOC(C)(CC)CC.
What is the InChIKey of 3-methyl-3-propoxypentane?
The InChIKey is AYARPFNEZCVOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-8-10-9(4,6-2)7-3/h5-8H2,1-4H3.
What are the key properties of 3-methyl-3-propoxypentane?
3-methyl-3-propoxypentane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propoxypentane is sourced from PubChem (CID 90692927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).