2-methoxy-2,4-dimethylpentane

C8H18O — CID 19768864

IUPAC2-methoxy-2,4-dimethylpentane
SMILESCOC(C)(C)CC(C)C
InChIInChI=1S/C8H18O/c1-7(2)6-8(3,4)9-5/h7H,6H2,1-5H3
InChIKeyYRSWRMLCSAFQSX-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds3

About 2-methoxy-2,4-dimethylpentane

2-methoxy-2,4-dimethylpentane (PubChem CID 19768864) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methoxy-2,4-dimethylpentane.

Molecular Properties

Compound Name2-methoxy-2,4-dimethylpentane
PubChem CID19768864
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methoxy-2,4-dimethylpentane
SMILESCOC(C)(C)CC(C)C
InChIInChI=1S/C8H18O/c1-7(2)6-8(3,4)9-5/h7H,6H2,1-5H3
InChIKeyYRSWRMLCSAFQSX-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
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-dimethylpentane?
The IUPAC name of 2-methoxy-2,4-dimethylpentane (CID 19768864) is 2-methoxy-2,4-dimethylpentane.
What is the SMILES notation for 2-methoxy-2,4-dimethylpentane?
The canonical SMILES for 2-methoxy-2,4-dimethylpentane is COC(C)(C)CC(C)C.
What is the InChIKey of 2-methoxy-2,4-dimethylpentane?
The InChIKey is YRSWRMLCSAFQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2)6-8(3,4)9-5/h7H,6H2,1-5H3.
What are the key properties of 2-methoxy-2,4-dimethylpentane?
2-methoxy-2,4-dimethylpentane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4-dimethylpentane is sourced from PubChem (CID 19768864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).