2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol

C12H24O4 — CID 14489257

IUPAC2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
SMILESCOCCOCOC(C)(C)C(O)C=C(C)C
InChIInChI=1S/C12H24O4/c1-10(2)8-11(13)12(3,4)16-9-15-7-6-14-5/h8,11,13H,6-7,9H2,1-5H3
InChIKeyAUTNKLKDOVDGQT-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.73
Rot. Bonds8

About 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol

2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol (PubChem CID 14489257) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
PubChem CID14489257
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
SMILESCOCCOCOC(C)(C)C(O)C=C(C)C
InChIInChI=1S/C12H24O4/c1-10(2)8-11(13)12(3,4)16-9-15-7-6-14-5/h8,11,13H,6-7,9H2,1-5H3
InChIKeyAUTNKLKDOVDGQT-UHFFFAOYSA-N
XLogP1.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol (CID 14489257) is 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol is COCCOCOC(C)(C)C(O)C=C(C)C.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol?
The InChIKey is AUTNKLKDOVDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-10(2)8-11(13)12(3,4)16-9-15-7-6-14-5/h8,11,13H,6-7,9H2,1-5H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol?
2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol has a molecular weight of 232.32 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 14489257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).