2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol

C12H22O4 — CID 134860299

IUPAC2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol
SMILESCCC1(OC)C=CC(OC)(C(C)(O)CC)O1
InChIInChI=1S/C12H22O4/c1-6-10(3,13)12(15-5)9-8-11(7-2,14-4)16-12/h8-9,13H,6-7H2,1-5H3
InChIKeyOIMDGPRAMRODDS-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.83
Rot. Bonds5

About 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol

2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol (PubChem CID 134860299) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol
PubChem CID134860299
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol
SMILESCCC1(OC)C=CC(OC)(C(C)(O)CC)O1
InChIInChI=1S/C12H22O4/c1-6-10(3,13)12(15-5)9-8-11(7-2,14-4)16-12/h8-9,13H,6-7H2,1-5H3
InChIKeyOIMDGPRAMRODDS-UHFFFAOYSA-N
XLogP1.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(1S)-2-methyl-1-[2-[(E)-prop-1-enyl]-1,3-dioxolan-2-yl]propane-1,2-diol
CID 135065817
8-(2-Hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
CID 89299420

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol?
The IUPAC name of 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol (CID 134860299) is 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol.
What is the SMILES notation for 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol?
The canonical SMILES for 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol is CCC1(OC)C=CC(OC)(C(C)(O)CC)O1.
What is the InChIKey of 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol?
The InChIKey is OIMDGPRAMRODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-6-10(3,13)12(15-5)9-8-11(7-2,14-4)16-12/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol?
2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol has a molecular weight of 230.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol is sourced from PubChem (CID 134860299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).