5-ethylnon-2-en-1-ol

C11H22O — CID 3022582

IUPAC5-ethylnon-2-en-1-ol
SMILESCCCCC(CC)CC=CCO
InChIInChI=1S/C11H22O/c1-3-5-8-11(4-2)9-6-7-10-12/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyJOUGWEAOYMZAGM-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds7

About 5-ethylnon-2-en-1-ol

5-ethylnon-2-en-1-ol (PubChem CID 3022582) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-ethylnon-2-en-1-ol.

Molecular Properties

Compound Name5-ethylnon-2-en-1-ol
PubChem CID3022582
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name5-ethylnon-2-en-1-ol
SMILESCCCCC(CC)CC=CCO
InChIInChI=1S/C11H22O/c1-3-5-8-11(4-2)9-6-7-10-12/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyJOUGWEAOYMZAGM-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-ethylnon-2-en-1-ol?
The IUPAC name of 5-ethylnon-2-en-1-ol (CID 3022582) is 5-ethylnon-2-en-1-ol.
What is the SMILES notation for 5-ethylnon-2-en-1-ol?
The canonical SMILES for 5-ethylnon-2-en-1-ol is CCCCC(CC)CC=CCO.
What is the InChIKey of 5-ethylnon-2-en-1-ol?
The InChIKey is JOUGWEAOYMZAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-8-11(4-2)9-6-7-10-12/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 5-ethylnon-2-en-1-ol?
5-ethylnon-2-en-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnon-2-en-1-ol is sourced from PubChem (CID 3022582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).