4-ethenyl-1-ethylazepan-4-ol

C10H19NO — CID 65416706

IUPAC4-ethenyl-1-ethylazepan-4-ol
SMILESC=CC1(O)CCCN(CC)CC1
InChIInChI=1S/C10H19NO/c1-3-10(12)6-5-8-11(4-2)9-7-10/h3,12H,1,4-9H2,2H3
InChIKeySZROLEDZFVZFIR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

About 4-ethenyl-1-ethylazepan-4-ol

4-ethenyl-1-ethylazepan-4-ol (PubChem CID 65416706) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-ethenyl-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-ethenyl-1-ethylazepan-4-ol
PubChem CID65416706
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-ethenyl-1-ethylazepan-4-ol
SMILESC=CC1(O)CCCN(CC)CC1
InChIInChI=1S/C10H19NO/c1-3-10(12)6-5-8-11(4-2)9-7-10/h3,12H,1,4-9H2,2H3
InChIKeySZROLEDZFVZFIR-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-ethenyl-1-ethylazepan-4-ol?
The IUPAC name of 4-ethenyl-1-ethylazepan-4-ol (CID 65416706) is 4-ethenyl-1-ethylazepan-4-ol.
What is the SMILES notation for 4-ethenyl-1-ethylazepan-4-ol?
The canonical SMILES for 4-ethenyl-1-ethylazepan-4-ol is C=CC1(O)CCCN(CC)CC1.
What is the InChIKey of 4-ethenyl-1-ethylazepan-4-ol?
The InChIKey is SZROLEDZFVZFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(12)6-5-8-11(4-2)9-7-10/h3,12H,1,4-9H2,2H3.
What are the key properties of 4-ethenyl-1-ethylazepan-4-ol?
4-ethenyl-1-ethylazepan-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethylazepan-4-ol is sourced from PubChem (CID 65416706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).