(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol

C14H26O3 — CID 15225087

IUPAC(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol
SMILESCCOC(C/C(C)=C/C=C/C(C)(C)O)OCC
InChIInChI=1S/C14H26O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h8-10,13,15H,6-7,11H2,1-5H3/b10-8+,12-9+
InChIKeyMSNHHKRFUVZHPE-AXDLQRQNSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds8

About (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol

(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol (PubChem CID 15225087) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol
PubChem CID15225087
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol
SMILESCCOC(C/C(C)=C/C=C/C(C)(C)O)OCC
InChIInChI=1S/C14H26O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h8-10,13,15H,6-7,11H2,1-5H3/b10-8+,12-9+
InChIKeyMSNHHKRFUVZHPE-AXDLQRQNSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol (CID 15225087) is (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol is CCOC(C/C(C)=C/C=C/C(C)(C)O)OCC.
What is the InChIKey of (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol?
The InChIKey is MSNHHKRFUVZHPE-AXDLQRQNSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h8-10,13,15H,6-7,11H2,1-5H3/b10-8+,12-9+.
What are the key properties of (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol?
(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol has a molecular weight of 242.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol is sourced from PubChem (CID 15225087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).