1-methoxypropane;2,2,4,4-tetramethylpentane

C13H30O — CID 158896050

IUPAC1-methoxypropane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C.CCCOC
InChIInChI=1S/C9H20.C4H10O/c1-8(2,3)7-9(4,5)6;1-3-4-5-2/h7H2,1-6H3;3-4H2,1-2H3
InChIKeyJEVOETAUWJRFQQ-UHFFFAOYSA-N
MW202.38 g/mol
LogP4.51
Rot. Bonds2

About 1-methoxypropane;2,2,4,4-tetramethylpentane

1-methoxypropane;2,2,4,4-tetramethylpentane (PubChem CID 158896050) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is 1-methoxypropane;2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name1-methoxypropane;2,2,4,4-tetramethylpentane
PubChem CID158896050
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Name1-methoxypropane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C.CCCOC
InChIInChI=1S/C9H20.C4H10O/c1-8(2,3)7-9(4,5)6;1-3-4-5-2/h7H2,1-6H3;3-4H2,1-2H3
InChIKeyJEVOETAUWJRFQQ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;2,2,4,4-tetramethylpentane?
The IUPAC name of 1-methoxypropane;2,2,4,4-tetramethylpentane (CID 158896050) is 1-methoxypropane;2,2,4,4-tetramethylpentane.
What is the SMILES notation for 1-methoxypropane;2,2,4,4-tetramethylpentane?
The canonical SMILES for 1-methoxypropane;2,2,4,4-tetramethylpentane is CC(C)(C)CC(C)(C)C.CCCOC.
What is the InChIKey of 1-methoxypropane;2,2,4,4-tetramethylpentane?
The InChIKey is JEVOETAUWJRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C4H10O/c1-8(2,3)7-9(4,5)6;1-3-4-5-2/h7H2,1-6H3;3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;2,2,4,4-tetramethylpentane?
1-methoxypropane;2,2,4,4-tetramethylpentane has a molecular weight of 202.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;2,2,4,4-tetramethylpentane is sourced from PubChem (CID 158896050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).