2-propoxyprop-2-en-1-ol

C6H12O2 — CID 89416516

IUPAC2-propoxyprop-2-en-1-ol
SMILESC=C(CO)OCCC
InChIInChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3
InChIKeyYYRKORPFJXHZJT-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds4

About 2-propoxyprop-2-en-1-ol

2-propoxyprop-2-en-1-ol (PubChem CID 89416516) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-propoxyprop-2-en-1-ol.

Molecular Properties

Compound Name2-propoxyprop-2-en-1-ol
PubChem CID89416516
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-propoxyprop-2-en-1-ol
SMILESC=C(CO)OCCC
InChIInChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3
InChIKeyYYRKORPFJXHZJT-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propoxybut-1-ene
CID 22498061
2-propoxyprop-2-en-1-amine
CID 129234391
1-(1-bromoethenoxy)propane
CID 59930688
1-(1-fluoroethenoxy)propane
CID 22996827
azane;propyl 2-methylprop-2-enoate
CID 172812841
(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane
CID 143452543
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
3-ethenoxy-2-propoxyprop-1-ene
CID 87965615
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
N,N-dimethyl-1-propoxyethenamine
CID 142050908
1-propoxyethenylhydrazine
CID 157287762
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109

Frequently Asked Questions

What is the IUPAC name of 2-propoxyprop-2-en-1-ol?
The IUPAC name of 2-propoxyprop-2-en-1-ol (CID 89416516) is 2-propoxyprop-2-en-1-ol.
What is the SMILES notation for 2-propoxyprop-2-en-1-ol?
The canonical SMILES for 2-propoxyprop-2-en-1-ol is C=C(CO)OCCC.
What is the InChIKey of 2-propoxyprop-2-en-1-ol?
The InChIKey is YYRKORPFJXHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3.
What are the key properties of 2-propoxyprop-2-en-1-ol?
2-propoxyprop-2-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyprop-2-en-1-ol is sourced from PubChem (CID 89416516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).