2-prop-1-en-2-yloxypropane

C6H12O — CID 546996

IUPAC2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C)C
InChIInChI=1S/C6H12O/c1-5(2)7-6(3)4/h6H,1H2,2-4H3
InChIKeyMLALRMZPIVORPQ-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.95
Rot. Bonds2

About 2-prop-1-en-2-yloxypropane

2-prop-1-en-2-yloxypropane (PubChem CID 546996) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxypropane.

Molecular Properties

Compound Name2-prop-1-en-2-yloxypropane
PubChem CID546996
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C)C
InChIInChI=1S/C6H12O/c1-5(2)7-6(3)4/h6H,1H2,2-4H3
InChIKeyMLALRMZPIVORPQ-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxypropane?
The IUPAC name of 2-prop-1-en-2-yloxypropane (CID 546996) is 2-prop-1-en-2-yloxypropane.
What is the SMILES notation for 2-prop-1-en-2-yloxypropane?
The canonical SMILES for 2-prop-1-en-2-yloxypropane is C=C(C)OC(C)C.
What is the InChIKey of 2-prop-1-en-2-yloxypropane?
The InChIKey is MLALRMZPIVORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-5(2)7-6(3)4/h6H,1H2,2-4H3.
What are the key properties of 2-prop-1-en-2-yloxypropane?
2-prop-1-en-2-yloxypropane has a molecular weight of 100.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxypropane is sourced from PubChem (CID 546996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).