4-decyl-1-ethylazepan-4-ol

C18H37NO — CID 65154040

IUPAC4-decyl-1-ethylazepan-4-ol
SMILESCCCCCCCCCCC1(O)CCCN(CC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-13-18(20)14-12-16-19(4-2)17-15-18/h20H,3-17H2,1-2H3
InChIKeyXPANMNQBESTOTL-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.75
Rot. Bonds10

About 4-decyl-1-ethylazepan-4-ol

4-decyl-1-ethylazepan-4-ol (PubChem CID 65154040) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-decyl-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-decyl-1-ethylazepan-4-ol
PubChem CID65154040
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-decyl-1-ethylazepan-4-ol
SMILESCCCCCCCCCCC1(O)CCCN(CC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-13-18(20)14-12-16-19(4-2)17-15-18/h20H,3-17H2,1-2H3
InChIKeyXPANMNQBESTOTL-UHFFFAOYSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-decyl-1-ethylazepan-4-ol?
The IUPAC name of 4-decyl-1-ethylazepan-4-ol (CID 65154040) is 4-decyl-1-ethylazepan-4-ol.
What is the SMILES notation for 4-decyl-1-ethylazepan-4-ol?
The canonical SMILES for 4-decyl-1-ethylazepan-4-ol is CCCCCCCCCCC1(O)CCCN(CC)CC1.
What is the InChIKey of 4-decyl-1-ethylazepan-4-ol?
The InChIKey is XPANMNQBESTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-13-18(20)14-12-16-19(4-2)17-15-18/h20H,3-17H2,1-2H3.
What are the key properties of 4-decyl-1-ethylazepan-4-ol?
4-decyl-1-ethylazepan-4-ol has a molecular weight of 283.50 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-1-ethylazepan-4-ol is sourced from PubChem (CID 65154040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).