3-(2,5,5-trimethylhex-2-enyl)morpholine

C13H25NO — CID 104855454

IUPAC3-(2,5,5-trimethylhex-2-enyl)morpholine
SMILESCC(=CCC(C)(C)C)CC1COCCN1
InChIInChI=1S/C13H25NO/c1-11(5-6-13(2,3)4)9-12-10-15-8-7-14-12/h5,12,14H,6-10H2,1-4H3
InChIKeyDLWVWEHHXMYRIS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds3

About 3-(2,5,5-trimethylhex-2-enyl)morpholine

3-(2,5,5-trimethylhex-2-enyl)morpholine (PubChem CID 104855454) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(2,5,5-trimethylhex-2-enyl)morpholine.

Molecular Properties

Compound Name3-(2,5,5-trimethylhex-2-enyl)morpholine
PubChem CID104855454
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(2,5,5-trimethylhex-2-enyl)morpholine
SMILESCC(=CCC(C)(C)C)CC1COCCN1
InChIInChI=1S/C13H25NO/c1-11(5-6-13(2,3)4)9-12-10-15-8-7-14-12/h5,12,14H,6-10H2,1-4H3
InChIKeyDLWVWEHHXMYRIS-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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 3-(2,5,5-trimethylhex-2-enyl)morpholine?
The IUPAC name of 3-(2,5,5-trimethylhex-2-enyl)morpholine (CID 104855454) is 3-(2,5,5-trimethylhex-2-enyl)morpholine.
What is the SMILES notation for 3-(2,5,5-trimethylhex-2-enyl)morpholine?
The canonical SMILES for 3-(2,5,5-trimethylhex-2-enyl)morpholine is CC(=CCC(C)(C)C)CC1COCCN1.
What is the InChIKey of 3-(2,5,5-trimethylhex-2-enyl)morpholine?
The InChIKey is DLWVWEHHXMYRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(5-6-13(2,3)4)9-12-10-15-8-7-14-12/h5,12,14H,6-10H2,1-4H3.
What are the key properties of 3-(2,5,5-trimethylhex-2-enyl)morpholine?
3-(2,5,5-trimethylhex-2-enyl)morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,5-trimethylhex-2-enyl)morpholine is sourced from PubChem (CID 104855454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).