ethane;1-ethenoxyethanol

C6H14O2 — CID 143819454

IUPACethane;1-ethenoxyethanol
SMILESC=COC(C)O.CC
InChIInChI=1S/C4H8O2.C2H6/c1-3-6-4(2)5;1-2/h3-5H,1H2,2H3;1-2H3
InChIKeyIMIVQYHURZKOOH-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.51
Rot. Bonds2

About ethane;1-ethenoxyethanol

ethane;1-ethenoxyethanol (PubChem CID 143819454) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is ethane;1-ethenoxyethanol.

Molecular Properties

Compound Nameethane;1-ethenoxyethanol
PubChem CID143819454
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Nameethane;1-ethenoxyethanol
SMILESC=COC(C)O.CC
InChIInChI=1S/C4H8O2.C2H6/c1-3-6-4(2)5;1-2/h3-5H,1H2,2H3;1-2H3
InChIKeyIMIVQYHURZKOOH-UHFFFAOYSA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethane;1-ethenoxyethanol?
The IUPAC name of ethane;1-ethenoxyethanol (CID 143819454) is ethane;1-ethenoxyethanol.
What is the SMILES notation for ethane;1-ethenoxyethanol?
The canonical SMILES for ethane;1-ethenoxyethanol is C=COC(C)O.CC.
What is the InChIKey of ethane;1-ethenoxyethanol?
The InChIKey is IMIVQYHURZKOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6/c1-3-6-4(2)5;1-2/h3-5H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-ethenoxyethanol?
ethane;1-ethenoxyethanol has a molecular weight of 118.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenoxyethanol is sourced from PubChem (CID 143819454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).