2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol

C12H22O3 — CID 146359272

IUPAC2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1C(OC)OC(CC)C(C)C1O
InChIInChI=1S/C12H22O3/c1-6-9-8(4)11(13)10(7(2)3)12(14-5)15-9/h8-13H,2,6H2,1,3-5H3
InChIKeyWTVOCDYJOKACOO-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.96
Rot. Bonds3

About 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol

2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol (PubChem CID 146359272) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol
PubChem CID146359272
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1C(OC)OC(CC)C(C)C1O
InChIInChI=1S/C12H22O3/c1-6-9-8(4)11(13)10(7(2)3)12(14-5)15-9/h8-13H,2,6H2,1,3-5H3
InChIKeyWTVOCDYJOKACOO-UHFFFAOYSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol?
The IUPAC name of 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol (CID 146359272) is 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol.
What is the SMILES notation for 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol?
The canonical SMILES for 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol is C=C(C)C1C(OC)OC(CC)C(C)C1O.
What is the InChIKey of 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol?
The InChIKey is WTVOCDYJOKACOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-6-9-8(4)11(13)10(7(2)3)12(14-5)15-9/h8-13H,2,6H2,1,3-5H3.
What are the key properties of 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol?
2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol has a molecular weight of 214.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3-methyl-5-prop-1-en-2-yloxan-4-ol is sourced from PubChem (CID 146359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).