4-methyl-1-propan-2-yloxypentane

C9H20O — CID 20751384

IUPAC4-methyl-1-propan-2-yloxypentane
SMILESCC(C)CCCOC(C)C
InChIInChI=1S/C9H20O/c1-8(2)6-5-7-10-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyYXYYTKQWAPVTMS-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds5

About 4-methyl-1-propan-2-yloxypentane

4-methyl-1-propan-2-yloxypentane (PubChem CID 20751384) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yloxypentane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yloxypentane
PubChem CID20751384
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name4-methyl-1-propan-2-yloxypentane
SMILESCC(C)CCCOC(C)C
InChIInChI=1S/C9H20O/c1-8(2)6-5-7-10-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyYXYYTKQWAPVTMS-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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 4-methyl-1-propan-2-yloxypentane?
The IUPAC name of 4-methyl-1-propan-2-yloxypentane (CID 20751384) is 4-methyl-1-propan-2-yloxypentane.
What is the SMILES notation for 4-methyl-1-propan-2-yloxypentane?
The canonical SMILES for 4-methyl-1-propan-2-yloxypentane is CC(C)CCCOC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yloxypentane?
The InChIKey is YXYYTKQWAPVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(2)6-5-7-10-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-yloxypentane?
4-methyl-1-propan-2-yloxypentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yloxypentane is sourced from PubChem (CID 20751384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).