2-[(1E)-octa-1,7-dienoxy]ethanol

C10H18O2 — CID 87257060

IUPAC2-[(1E)-octa-1,7-dienoxy]ethanol
SMILESC=CCCCC/C=C/OCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,7,9,11H,1,3-6,8,10H2/b9-7+
InChIKeyRGYWLNYKPCUSJH-VQHVLOKHSA-N
MW170.25 g/mol
LogP2.26
Rot. Bonds8

About 2-[(1E)-octa-1,7-dienoxy]ethanol

2-[(1E)-octa-1,7-dienoxy]ethanol (PubChem CID 87257060) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(1E)-octa-1,7-dienoxy]ethanol.

Molecular Properties

Compound Name2-[(1E)-octa-1,7-dienoxy]ethanol
PubChem CID87257060
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(1E)-octa-1,7-dienoxy]ethanol
SMILESC=CCCCC/C=C/OCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,7,9,11H,1,3-6,8,10H2/b9-7+
InChIKeyRGYWLNYKPCUSJH-VQHVLOKHSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadeca-9,17-dien-1-ol
CID 78409331
2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 86242770
2-[2-[2-[2-[2-(2-oct-1-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 72996883
2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 87285415
3-octadec-1-enoxypropan-1-ol
CID 552588
2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 87170296
2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
CID 141050689
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
[(1E)-octa-1,7-dienyl] acetate
CID 15724665
methoxymethane;tridec-12-en-1-ol
CID 87674016
(1E)-1-methoxyhepta-1,6-diene
CID 19739385

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-octa-1,7-dienoxy]ethanol?
The IUPAC name of 2-[(1E)-octa-1,7-dienoxy]ethanol (CID 87257060) is 2-[(1E)-octa-1,7-dienoxy]ethanol.
What is the SMILES notation for 2-[(1E)-octa-1,7-dienoxy]ethanol?
The canonical SMILES for 2-[(1E)-octa-1,7-dienoxy]ethanol is C=CCCCC/C=C/OCCO.
What is the InChIKey of 2-[(1E)-octa-1,7-dienoxy]ethanol?
The InChIKey is RGYWLNYKPCUSJH-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,7,9,11H,1,3-6,8,10H2/b9-7+.
What are the key properties of 2-[(1E)-octa-1,7-dienoxy]ethanol?
2-[(1E)-octa-1,7-dienoxy]ethanol has a molecular weight of 170.25 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-octa-1,7-dienoxy]ethanol is sourced from PubChem (CID 87257060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).