4-ethylazepan-4-ol

C8H17NO — CID 55296565

IUPAC4-ethylazepan-4-ol
SMILESCCC1(O)CCCNCC1
InChIInChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3
InChIKeyOZBPJXGMOOMNGE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds1

About 4-ethylazepan-4-ol

4-ethylazepan-4-ol (PubChem CID 55296565) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-ethylazepan-4-ol.

Molecular Properties

Compound Name4-ethylazepan-4-ol
PubChem CID55296565
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-ethylazepan-4-ol
SMILESCCC1(O)CCCNCC1
InChIInChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3
InChIKeyOZBPJXGMOOMNGE-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylazepan-4-ol?
The IUPAC name of 4-ethylazepan-4-ol (CID 55296565) is 4-ethylazepan-4-ol.
What is the SMILES notation for 4-ethylazepan-4-ol?
The canonical SMILES for 4-ethylazepan-4-ol is CCC1(O)CCCNCC1.
What is the InChIKey of 4-ethylazepan-4-ol?
The InChIKey is OZBPJXGMOOMNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3.
What are the key properties of 4-ethylazepan-4-ol?
4-ethylazepan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylazepan-4-ol is sourced from PubChem (CID 55296565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).