2-ethyl-4-prop-1-en-2-yloxan-4-ol

C10H18O2 — CID 79189690

IUPAC2-ethyl-4-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1(O)CCOC(CC)C1
InChIInChI=1S/C10H18O2/c1-4-9-7-10(11,8(2)3)5-6-12-9/h9,11H,2,4-7H2,1,3H3
InChIKeyAOAFRAOBOHQBEA-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About 2-ethyl-4-prop-1-en-2-yloxan-4-ol

2-ethyl-4-prop-1-en-2-yloxan-4-ol (PubChem CID 79189690) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-4-prop-1-en-2-yloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-prop-1-en-2-yloxan-4-ol
PubChem CID79189690
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethyl-4-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1(O)CCOC(CC)C1
InChIInChI=1S/C10H18O2/c1-4-9-7-10(11,8(2)3)5-6-12-9/h9,11H,2,4-7H2,1,3H3
InChIKeyAOAFRAOBOHQBEA-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-prop-1-en-2-yloxan-4-ol?
The IUPAC name of 2-ethyl-4-prop-1-en-2-yloxan-4-ol (CID 79189690) is 2-ethyl-4-prop-1-en-2-yloxan-4-ol.
What is the SMILES notation for 2-ethyl-4-prop-1-en-2-yloxan-4-ol?
The canonical SMILES for 2-ethyl-4-prop-1-en-2-yloxan-4-ol is C=C(C)C1(O)CCOC(CC)C1.
What is the InChIKey of 2-ethyl-4-prop-1-en-2-yloxan-4-ol?
The InChIKey is AOAFRAOBOHQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9-7-10(11,8(2)3)5-6-12-9/h9,11H,2,4-7H2,1,3H3.
What are the key properties of 2-ethyl-4-prop-1-en-2-yloxan-4-ol?
2-ethyl-4-prop-1-en-2-yloxan-4-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-prop-1-en-2-yloxan-4-ol is sourced from PubChem (CID 79189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).