(E)-5,5-diethoxy-2-methylpent-2-en-1-ol

C10H20O3 — CID 15374333

IUPAC(E)-5,5-diethoxy-2-methylpent-2-en-1-ol
SMILESCCOC(C/C=C(\C)CO)OCC
InChIInChI=1S/C10H20O3/c1-4-12-10(13-5-2)7-6-9(3)8-11/h6,10-11H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyAHIQKRSLOJGXTN-RMKNXTFCSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds7

About (E)-5,5-diethoxy-2-methylpent-2-en-1-ol

(E)-5,5-diethoxy-2-methylpent-2-en-1-ol (PubChem CID 15374333) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-5,5-diethoxy-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5,5-diethoxy-2-methylpent-2-en-1-ol
PubChem CID15374333
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E)-5,5-diethoxy-2-methylpent-2-en-1-ol
SMILESCCOC(C/C=C(\C)CO)OCC
InChIInChI=1S/C10H20O3/c1-4-12-10(13-5-2)7-6-9(3)8-11/h6,10-11H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyAHIQKRSLOJGXTN-RMKNXTFCSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (E)-5,5-diethoxy-2-methylpent-2-en-1-ol?
The IUPAC name of (E)-5,5-diethoxy-2-methylpent-2-en-1-ol (CID 15374333) is (E)-5,5-diethoxy-2-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-5,5-diethoxy-2-methylpent-2-en-1-ol?
The canonical SMILES for (E)-5,5-diethoxy-2-methylpent-2-en-1-ol is CCOC(C/C=C(\C)CO)OCC.
What is the InChIKey of (E)-5,5-diethoxy-2-methylpent-2-en-1-ol?
The InChIKey is AHIQKRSLOJGXTN-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-12-10(13-5-2)7-6-9(3)8-11/h6,10-11H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-5,5-diethoxy-2-methylpent-2-en-1-ol?
(E)-5,5-diethoxy-2-methylpent-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-diethoxy-2-methylpent-2-en-1-ol is sourced from PubChem (CID 15374333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).