2-propoxybutane

C7H16O — CID 522002

IUPAC2-propoxybutane
SMILESCCCOC(C)CC
InChIInChI=1S/C7H16O/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKeyNKCLBERXLKOMPK-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.21
Rot. Bonds4

About 2-propoxybutane

2-propoxybutane (PubChem CID 522002) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2-propoxybutane.

Molecular Properties

Compound Name2-propoxybutane
PubChem CID522002
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2-propoxybutane
SMILESCCCOC(C)CC
InChIInChI=1S/C7H16O/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKeyNKCLBERXLKOMPK-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-propoxybutane?
The IUPAC name of 2-propoxybutane (CID 522002) is 2-propoxybutane.
What is the SMILES notation for 2-propoxybutane?
The canonical SMILES for 2-propoxybutane is CCCOC(C)CC.
What is the InChIKey of 2-propoxybutane?
The InChIKey is NKCLBERXLKOMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-propoxybutane?
2-propoxybutane has a molecular weight of 116.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxybutane is sourced from PubChem (CID 522002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).