2-methyl-2-propan-2-yloxypentane

C9H20O — CID 59803923

IUPAC2-methyl-2-propan-2-yloxypentane
SMILESCCCC(C)(C)OC(C)C
InChIInChI=1S/C9H20O/c1-6-7-9(4,5)10-8(2)3/h8H,6-7H2,1-5H3
InChIKeyLLNRBLJIMSOIOU-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-2-propan-2-yloxypentane

2-methyl-2-propan-2-yloxypentane (PubChem CID 59803923) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yloxypentane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yloxypentane
PubChem CID59803923
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methyl-2-propan-2-yloxypentane
SMILESCCCC(C)(C)OC(C)C
InChIInChI=1S/C9H20O/c1-6-7-9(4,5)10-8(2)3/h8H,6-7H2,1-5H3
InChIKeyLLNRBLJIMSOIOU-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

Analyze 2-methyl-2-propan-2-yloxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yloxypentane?
The IUPAC name of 2-methyl-2-propan-2-yloxypentane (CID 59803923) is 2-methyl-2-propan-2-yloxypentane.
What is the SMILES notation for 2-methyl-2-propan-2-yloxypentane?
The canonical SMILES for 2-methyl-2-propan-2-yloxypentane is CCCC(C)(C)OC(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yloxypentane?
The InChIKey is LLNRBLJIMSOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-7-9(4,5)10-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2-methyl-2-propan-2-yloxypentane?
2-methyl-2-propan-2-yloxypentane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yloxypentane is sourced from PubChem (CID 59803923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).