2-methoxy-2,4,4-trimethylpentane

C9H20O — CID 552215

IUPAC2-methoxy-2,4,4-trimethylpentane
SMILESCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3
InChIKeyIKZVAPMTXDXWMX-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds2

About 2-methoxy-2,4,4-trimethylpentane

2-methoxy-2,4,4-trimethylpentane (PubChem CID 552215) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-methoxy-2,4,4-trimethylpentane
PubChem CID552215
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methoxy-2,4,4-trimethylpentane
SMILESCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3
InChIKeyIKZVAPMTXDXWMX-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4,4-trimethylpentane?
The IUPAC name of 2-methoxy-2,4,4-trimethylpentane (CID 552215) is 2-methoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-methoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-methoxy-2,4,4-trimethylpentane is COC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methoxy-2,4,4-trimethylpentane?
The InChIKey is IKZVAPMTXDXWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3.
What are the key properties of 2-methoxy-2,4,4-trimethylpentane?
2-methoxy-2,4,4-trimethylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 552215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).