1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine

C14H27NO — CID 155022385

IUPAC1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine
SMILESCC/C(=C\C(C)(C)C)OCCN1CCCC1
InChIInChI=1S/C14H27NO/c1-5-13(12-14(2,3)4)16-11-10-15-8-6-7-9-15/h12H,5-11H2,1-4H3/b13-12+
InChIKeyVZFHIDBKWRMQEQ-OUKQBFOZSA-N
MW225.38 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine

1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine (PubChem CID 155022385) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine
PubChem CID155022385
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine
SMILESCC/C(=C\C(C)(C)C)OCCN1CCCC1
InChIInChI=1S/C14H27NO/c1-5-13(12-14(2,3)4)16-11-10-15-8-6-7-9-15/h12H,5-11H2,1-4H3/b13-12+
InChIKeyVZFHIDBKWRMQEQ-OUKQBFOZSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
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 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine (CID 155022385) is 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine is CC/C(=C\C(C)(C)C)OCCN1CCCC1.
What is the InChIKey of 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine?
The InChIKey is VZFHIDBKWRMQEQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-13(12-14(2,3)4)16-11-10-15-8-6-7-9-15/h12H,5-11H2,1-4H3/b13-12+.
What are the key properties of 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine?
1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine is sourced from PubChem (CID 155022385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).