1-[(E)-oct-5-en-3-yl]oxyethanol

C10H20O2 — CID 22035497

IUPAC1-[(E)-oct-5-en-3-yl]oxyethanol
SMILESCC/C=C/CC(CC)OC(C)O
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+
InChIKeyIQIGZDWWNUYUBZ-VOTSOKGWSA-N
MW172.27 g/mol
LogP2.48
Rot. Bonds6

About 1-[(E)-oct-5-en-3-yl]oxyethanol

1-[(E)-oct-5-en-3-yl]oxyethanol (PubChem CID 22035497) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(E)-oct-5-en-3-yl]oxyethanol.

Molecular Properties

Compound Name1-[(E)-oct-5-en-3-yl]oxyethanol
PubChem CID22035497
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[(E)-oct-5-en-3-yl]oxyethanol
SMILESCC/C=C/CC(CC)OC(C)O
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+
InChIKeyIQIGZDWWNUYUBZ-VOTSOKGWSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-oct-5-en-3-yl]oxyethanol?
The IUPAC name of 1-[(E)-oct-5-en-3-yl]oxyethanol (CID 22035497) is 1-[(E)-oct-5-en-3-yl]oxyethanol.
What is the SMILES notation for 1-[(E)-oct-5-en-3-yl]oxyethanol?
The canonical SMILES for 1-[(E)-oct-5-en-3-yl]oxyethanol is CC/C=C/CC(CC)OC(C)O.
What is the InChIKey of 1-[(E)-oct-5-en-3-yl]oxyethanol?
The InChIKey is IQIGZDWWNUYUBZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of 1-[(E)-oct-5-en-3-yl]oxyethanol?
1-[(E)-oct-5-en-3-yl]oxyethanol has a molecular weight of 172.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-oct-5-en-3-yl]oxyethanol is sourced from PubChem (CID 22035497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).