1-(1-ethenoxyethoxy)propan-2-ol

C7H14O3 — CID 140604283

IUPAC1-(1-ethenoxyethoxy)propan-2-ol
SMILESC=COC(C)OCC(C)O
InChIInChI=1S/C7H14O3/c1-4-9-7(3)10-5-6(2)8/h4,6-8H,1,5H2,2-3H3
InChIKeyFJZSPCXEVQGKGH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.89
Rot. Bonds5

About 1-(1-ethenoxyethoxy)propan-2-ol

1-(1-ethenoxyethoxy)propan-2-ol (PubChem CID 140604283) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(1-ethenoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethenoxyethoxy)propan-2-ol
PubChem CID140604283
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(1-ethenoxyethoxy)propan-2-ol
SMILESC=COC(C)OCC(C)O
InChIInChI=1S/C7H14O3/c1-4-9-7(3)10-5-6(2)8/h4,6-8H,1,5H2,2-3H3
InChIKeyFJZSPCXEVQGKGH-UHFFFAOYSA-N
XLogP0.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenoxyheptane-2,6-diol
CID 174290240
ethane;1-ethenoxyethanol
CID 143819454
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
bis(1-ethenoxyethyl) butanedioate
CID 87645266
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
CID 158101930
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
CID 88836579
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
1-(1-ethenoxyethoxy)-1-methoxyethane
CID 87088455

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenoxyethoxy)propan-2-ol?
The IUPAC name of 1-(1-ethenoxyethoxy)propan-2-ol (CID 140604283) is 1-(1-ethenoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-ethenoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(1-ethenoxyethoxy)propan-2-ol is C=COC(C)OCC(C)O.
What is the InChIKey of 1-(1-ethenoxyethoxy)propan-2-ol?
The InChIKey is FJZSPCXEVQGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-9-7(3)10-5-6(2)8/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1-(1-ethenoxyethoxy)propan-2-ol?
1-(1-ethenoxyethoxy)propan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenoxyethoxy)propan-2-ol is sourced from PubChem (CID 140604283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).