1-(2-prop-2-enoxypropoxy)propan-1-ol

C9H18O3 — CID 86009147

IUPAC1-(2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(C)COC(O)CC
InChIInChI=1S/C9H18O3/c1-4-6-11-8(3)7-12-9(10)5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyHBTDEZSDDAEASP-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds7

About 1-(2-prop-2-enoxypropoxy)propan-1-ol

1-(2-prop-2-enoxypropoxy)propan-1-ol (PubChem CID 86009147) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-prop-2-enoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-prop-2-enoxypropoxy)propan-1-ol
PubChem CID86009147
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(C)COC(O)CC
InChIInChI=1S/C9H18O3/c1-4-6-11-8(3)7-12-9(10)5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyHBTDEZSDDAEASP-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-(Allyloxy)hydroxypropoxy)propane-1,2-diol
CID 44151794
Allyloxy glycerol
CID 54335133
2-Allyloxy-1,2-propanediol
CID 57425420
Propanol, 1(or 2)-(2-propen-1-yloxy)-
CID 18953195
2-(2-Prop-2-enoxyethoxy)butan-2-ol
CID 71440519
1-Butan-2-yloxyprop-2-en-1-ol
CID 173409298
3-(3-(Allyloxy)-1-hydroxypropoxy)propane-1,2-diol
CID 3023203
3-(1-Hydroxy-1-prop-2-enoxypropan-2-yl)oxypropane-1,2-diol
CID 3024892
3-(1-((Allyloxy)-2-hydroxymethyl)ethoxy)propane-1,2-diol
CID 44153136
3,3-Bis(prop-2-enoxy)pentan-2-ol
CID 18944735
1-[2-(2-Prop-2-enoxyethoxy)ethoxy]ethanol
CID 19419396
1-(2-Prop-2-enoxyethoxy)ethanol
CID 19419401

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxypropoxy)propan-1-ol?
The IUPAC name of 1-(2-prop-2-enoxypropoxy)propan-1-ol (CID 86009147) is 1-(2-prop-2-enoxypropoxy)propan-1-ol.
What is the SMILES notation for 1-(2-prop-2-enoxypropoxy)propan-1-ol?
The canonical SMILES for 1-(2-prop-2-enoxypropoxy)propan-1-ol is C=CCOC(C)COC(O)CC.
What is the InChIKey of 1-(2-prop-2-enoxypropoxy)propan-1-ol?
The InChIKey is HBTDEZSDDAEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-6-11-8(3)7-12-9(10)5-2/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-(2-prop-2-enoxypropoxy)propan-1-ol?
1-(2-prop-2-enoxypropoxy)propan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxypropoxy)propan-1-ol is sourced from PubChem (CID 86009147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).