2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol

C11H20O2 — CID 79734892

IUPAC2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
SMILESC=CCC1(O)CCOC(C)(CC)C1
InChIInChI=1S/C11H20O2/c1-4-6-11(12)7-8-13-10(3,5-2)9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyRFMDGFLXVDOLBO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol

2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol (PubChem CID 79734892) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
PubChem CID79734892
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
SMILESC=CCC1(O)CCOC(C)(CC)C1
InChIInChI=1S/C11H20O2/c1-4-6-11(12)7-8-13-10(3,5-2)9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyRFMDGFLXVDOLBO-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
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-2-methyl-4-prop-2-enyloxan-4-ol?
The IUPAC name of 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol (CID 79734892) is 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol.
What is the SMILES notation for 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol?
The canonical SMILES for 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol is C=CCC1(O)CCOC(C)(CC)C1.
What is the InChIKey of 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol?
The InChIKey is RFMDGFLXVDOLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-11(12)7-8-13-10(3,5-2)9-11/h4,12H,1,5-9H2,2-3H3.
What are the key properties of 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol?
2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol is sourced from PubChem (CID 79734892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).