1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol

C10H20O4 — CID 139914792

IUPAC1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol
SMILESC=COC(C)OC(C)(C)OCC(C)O
InChIInChI=1S/C10H20O4/c1-6-12-9(3)14-10(4,5)13-7-8(2)11/h6,8-9,11H,1,7H2,2-5H3
InChIKeyIVDQLFMNQUEFJA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds7

About 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol

1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol (PubChem CID 139914792) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol
PubChem CID139914792
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol
SMILESC=COC(C)OC(C)(C)OCC(C)O
InChIInChI=1S/C10H20O4/c1-6-12-9(3)14-10(4,5)13-7-8(2)11/h6,8-9,11H,1,7H2,2-5H3
InChIKeyIVDQLFMNQUEFJA-UHFFFAOYSA-N
XLogP1.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol (CID 139914792) is 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol is C=COC(C)OC(C)(C)OCC(C)O.
What is the InChIKey of 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol?
The InChIKey is IVDQLFMNQUEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-6-12-9(3)14-10(4,5)13-7-8(2)11/h6,8-9,11H,1,7H2,2-5H3.
What are the key properties of 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol?
1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethenoxyethoxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 139914792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).