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

C9H16O2 — CID 10702062

IUPAC2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol
SMILESC=CCC(/C=C/C)OCCO
InChIInChI=1S/C9H16O2/c1-3-5-9(6-4-2)11-8-7-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+
InChIKeyHNMZRHKYFDGCBX-GQCTYLIASA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds6

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

2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol (PubChem CID 10702062) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol
PubChem CID10702062
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol
SMILESC=CCC(/C=C/C)OCCO
InChIInChI=1S/C9H16O2/c1-3-5-9(6-4-2)11-8-7-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+
InChIKeyHNMZRHKYFDGCBX-GQCTYLIASA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
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)-hepta-1,5-dien-4-yl]oxyethanol?
The IUPAC name of 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol (CID 10702062) is 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol.
What is the SMILES notation for 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol?
The canonical SMILES for 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol is C=CCC(/C=C/C)OCCO.
What is the InChIKey of 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol?
The InChIKey is HNMZRHKYFDGCBX-GQCTYLIASA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(6-4-2)11-8-7-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+.
What are the key properties of 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol?
2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol has a molecular weight of 156.22 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-hepta-1,5-dien-4-yl]oxyethanol is sourced from PubChem (CID 10702062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).