2-[(5E)-nona-1,5-dien-4-yl]oxyethanol

C11H20O2 — CID 10511705

IUPAC2-[(5E)-nona-1,5-dien-4-yl]oxyethanol
SMILESC=CCC(/C=C/CCC)OCCO
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(7-4-2)13-10-9-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/b8-6+
InChIKeyPGGZGGKZNGCDAD-SOFGYWHQSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds8

About 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol

2-[(5E)-nona-1,5-dien-4-yl]oxyethanol (PubChem CID 10511705) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[(5E)-nona-1,5-dien-4-yl]oxyethanol
PubChem CID10511705
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(5E)-nona-1,5-dien-4-yl]oxyethanol
SMILESC=CCC(/C=C/CCC)OCCO
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(7-4-2)13-10-9-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/b8-6+
InChIKeyPGGZGGKZNGCDAD-SOFGYWHQSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol?
The IUPAC name of 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol (CID 10511705) is 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol.
What is the SMILES notation for 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol?
The canonical SMILES for 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol is C=CCC(/C=C/CCC)OCCO.
What is the InChIKey of 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol?
The InChIKey is PGGZGGKZNGCDAD-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-8-11(7-4-2)13-10-9-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3/b8-6+.
What are the key properties of 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol?
2-[(5E)-nona-1,5-dien-4-yl]oxyethanol has a molecular weight of 184.28 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-nona-1,5-dien-4-yl]oxyethanol is sourced from PubChem (CID 10511705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).