5-ethenyl-5-propyloct-7-en-4-ol

C13H24O — CID 20501680

IUPAC5-ethenyl-5-propyloct-7-en-4-ol
SMILESC=CCC(C=C)(CCC)C(O)CCC
InChIInChI=1S/C13H24O/c1-5-9-12(14)13(8-4,10-6-2)11-7-3/h6,8,12,14H,2,4-5,7,9-11H2,1,3H3
InChIKeyYSPOMKXMGGFGRB-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds8

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

5-ethenyl-5-propyloct-7-en-4-ol (PubChem CID 20501680) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 5-ethenyl-5-propyloct-7-en-4-ol.

Molecular Properties

Compound Name5-ethenyl-5-propyloct-7-en-4-ol
PubChem CID20501680
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name5-ethenyl-5-propyloct-7-en-4-ol
SMILESC=CCC(C=C)(CCC)C(O)CCC
InChIInChI=1S/C13H24O/c1-5-9-12(14)13(8-4,10-6-2)11-7-3/h6,8,12,14H,2,4-5,7,9-11H2,1,3H3
InChIKeyYSPOMKXMGGFGRB-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
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-propyloct-7-en-4-ol?
The IUPAC name of 5-ethenyl-5-propyloct-7-en-4-ol (CID 20501680) is 5-ethenyl-5-propyloct-7-en-4-ol.
What is the SMILES notation for 5-ethenyl-5-propyloct-7-en-4-ol?
The canonical SMILES for 5-ethenyl-5-propyloct-7-en-4-ol is C=CCC(C=C)(CCC)C(O)CCC.
What is the InChIKey of 5-ethenyl-5-propyloct-7-en-4-ol?
The InChIKey is YSPOMKXMGGFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-9-12(14)13(8-4,10-6-2)11-7-3/h6,8,12,14H,2,4-5,7,9-11H2,1,3H3.
What are the key properties of 5-ethenyl-5-propyloct-7-en-4-ol?
5-ethenyl-5-propyloct-7-en-4-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-propyloct-7-en-4-ol is sourced from PubChem (CID 20501680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).