3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine

C18H35NO — CID 170622319

IUPAC3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine
SMILESC=C(CC(CC)(CC)C1(C(C)C)CCCNC1)OCC
InChIInChI=1S/C18H35NO/c1-7-17(8-2,13-16(6)20-9-3)18(15(4)5)11-10-12-19-14-18/h15,19H,6-14H2,1-5H3
InChIKeyMPEJGRNKKRVJKM-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.76
Rot. Bonds8

About 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine

3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine (PubChem CID 170622319) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine
PubChem CID170622319
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine
SMILESC=C(CC(CC)(CC)C1(C(C)C)CCCNC1)OCC
InChIInChI=1S/C18H35NO/c1-7-17(8-2,13-16(6)20-9-3)18(15(4)5)11-10-12-19-14-18/h15,19H,6-14H2,1-5H3
InChIKeyMPEJGRNKKRVJKM-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine?
The IUPAC name of 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine (CID 170622319) is 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine?
The canonical SMILES for 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine is C=C(CC(CC)(CC)C1(C(C)C)CCCNC1)OCC.
What is the InChIKey of 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine?
The InChIKey is MPEJGRNKKRVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-7-17(8-2,13-16(6)20-9-3)18(15(4)5)11-10-12-19-14-18/h15,19H,6-14H2,1-5H3.
What are the key properties of 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine?
3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine has a molecular weight of 281.48 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-3-ethylhex-5-en-3-yl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 170622319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).