2-propan-2-yloxybutane

C7H16O — CID 29179

IUPAC2-propan-2-yloxybutane
SMILESCCC(C)OC(C)C
InChIInChI=1S/C7H16O/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3
InChIKeyQHJLNXCHSKDYHR-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.21
Rot. Bonds3

About 2-propan-2-yloxybutane

2-propan-2-yloxybutane (PubChem CID 29179) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2-propan-2-yloxybutane.

Molecular Properties

Compound Name2-propan-2-yloxybutane
PubChem CID29179
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2-propan-2-yloxybutane
SMILESCCC(C)OC(C)C
InChIInChI=1S/C7H16O/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3
InChIKeyQHJLNXCHSKDYHR-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybutane?
The IUPAC name of 2-propan-2-yloxybutane (CID 29179) is 2-propan-2-yloxybutane.
What is the SMILES notation for 2-propan-2-yloxybutane?
The canonical SMILES for 2-propan-2-yloxybutane is CCC(C)OC(C)C.
What is the InChIKey of 2-propan-2-yloxybutane?
The InChIKey is QHJLNXCHSKDYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-propan-2-yloxybutane?
2-propan-2-yloxybutane has a molecular weight of 116.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybutane is sourced from PubChem (CID 29179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).