(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol

C10H16O2 — CID 11819421

IUPAC(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol
SMILESC=C/C=C(/OCC)C(O)/C=C/C
InChIInChI=1S/C10H16O2/c1-4-7-9(11)10(8-5-2)12-6-3/h4-5,7-9,11H,2,6H2,1,3H3/b7-4+,10-8+
InChIKeyMZIBOBOMYDIOBQ-DAAQNPAKSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds5

About (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol

(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol (PubChem CID 11819421) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol.

Molecular Properties

Compound Name(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol
PubChem CID11819421
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol
SMILESC=C/C=C(/OCC)C(O)/C=C/C
InChIInChI=1S/C10H16O2/c1-4-7-9(11)10(8-5-2)12-6-3/h4-5,7-9,11H,2,6H2,1,3H3/b7-4+,10-8+
InChIKeyMZIBOBOMYDIOBQ-DAAQNPAKSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol?
The IUPAC name of (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol (CID 11819421) is (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol.
What is the SMILES notation for (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol?
The canonical SMILES for (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol is C=C/C=C(/OCC)C(O)/C=C/C.
What is the InChIKey of (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol?
The InChIKey is MZIBOBOMYDIOBQ-DAAQNPAKSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-9(11)10(8-5-2)12-6-3/h4-5,7-9,11H,2,6H2,1,3H3/b7-4+,10-8+.
What are the key properties of (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol?
(2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol has a molecular weight of 168.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-ethoxyocta-2,5,7-trien-4-ol is sourced from PubChem (CID 11819421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).