3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one

C24H47NO — CID 574656

IUPAC3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC1
InChIInChI=1S/C24H47NO/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(26)25-17-6-7-18-25/h20-23H,6-19H2,1-5H3
InChIKeyKBENWCSBIJHQTR-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.07
Rot. Bonds14

About 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one

3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one (PubChem CID 574656) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one
PubChem CID574656
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC1
InChIInChI=1S/C24H47NO/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(26)25-17-6-7-18-25/h20-23H,6-19H2,1-5H3
InChIKeyKBENWCSBIJHQTR-UHFFFAOYSA-N
XLogP7.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one?
The IUPAC name of 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one (CID 574656) is 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one.
What is the SMILES notation for 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one?
The canonical SMILES for 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC1.
What is the InChIKey of 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one?
The InChIKey is KBENWCSBIJHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(26)25-17-6-7-18-25/h20-23H,6-19H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one?
3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one has a molecular weight of 365.65 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-1-pyrrolidin-1-ylhexadecan-1-one is sourced from PubChem (CID 574656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).