5-ethenyl-5-ethyloct-7-en-4-ol

C12H22O — CID 20501828

IUPAC5-ethenyl-5-ethyloct-7-en-4-ol
SMILESC=CCC(C=C)(CC)C(O)CCC
InChIInChI=1S/C12H22O/c1-5-9-11(13)12(7-3,8-4)10-6-2/h6-7,11,13H,2-3,5,8-10H2,1,4H3
InChIKeyWZHYOQOBVFRUEH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds7

About 5-ethenyl-5-ethyloct-7-en-4-ol

5-ethenyl-5-ethyloct-7-en-4-ol (PubChem CID 20501828) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-ethenyl-5-ethyloct-7-en-4-ol.

Molecular Properties

Compound Name5-ethenyl-5-ethyloct-7-en-4-ol
PubChem CID20501828
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-ethenyl-5-ethyloct-7-en-4-ol
SMILESC=CCC(C=C)(CC)C(O)CCC
InChIInChI=1S/C12H22O/c1-5-9-11(13)12(7-3,8-4)10-6-2/h6-7,11,13H,2-3,5,8-10H2,1,4H3
InChIKeyWZHYOQOBVFRUEH-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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-ethenyl-5-ethyloct-7-en-4-ol?
The IUPAC name of 5-ethenyl-5-ethyloct-7-en-4-ol (CID 20501828) is 5-ethenyl-5-ethyloct-7-en-4-ol.
What is the SMILES notation for 5-ethenyl-5-ethyloct-7-en-4-ol?
The canonical SMILES for 5-ethenyl-5-ethyloct-7-en-4-ol is C=CCC(C=C)(CC)C(O)CCC.
What is the InChIKey of 5-ethenyl-5-ethyloct-7-en-4-ol?
The InChIKey is WZHYOQOBVFRUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-9-11(13)12(7-3,8-4)10-6-2/h6-7,11,13H,2-3,5,8-10H2,1,4H3.
What are the key properties of 5-ethenyl-5-ethyloct-7-en-4-ol?
5-ethenyl-5-ethyloct-7-en-4-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-ethyloct-7-en-4-ol is sourced from PubChem (CID 20501828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).