2-methyl-2-propoxybutane

C8H18O — CID 12547560

IUPAC2-methyl-2-propoxybutane
SMILESCCCOC(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-7-9-8(3,4)6-2/h5-7H2,1-4H3
InChIKeyLFKBOUUQIPXNTJ-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-2-propoxybutane

2-methyl-2-propoxybutane (PubChem CID 12547560) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methyl-2-propoxybutane.

Molecular Properties

Compound Name2-methyl-2-propoxybutane
PubChem CID12547560
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methyl-2-propoxybutane
SMILESCCCOC(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-7-9-8(3,4)6-2/h5-7H2,1-4H3
InChIKeyLFKBOUUQIPXNTJ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propoxybutane?
The IUPAC name of 2-methyl-2-propoxybutane (CID 12547560) is 2-methyl-2-propoxybutane.
What is the SMILES notation for 2-methyl-2-propoxybutane?
The canonical SMILES for 2-methyl-2-propoxybutane is CCCOC(C)(C)CC.
What is the InChIKey of 2-methyl-2-propoxybutane?
The InChIKey is LFKBOUUQIPXNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-7-9-8(3,4)6-2/h5-7H2,1-4H3.
What are the key properties of 2-methyl-2-propoxybutane?
2-methyl-2-propoxybutane has a molecular weight of 130.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propoxybutane is sourced from PubChem (CID 12547560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).