trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium

C14H28NO+ — CID 146647588

IUPACtrimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium
SMILESC=C(C)CC(C[N+](C)(C)C)O/C(C)=C/CC
InChIInChI=1S/C14H28NO/c1-8-9-13(4)16-14(10-12(2)3)11-15(5,6)7/h9,14H,2,8,10-11H2,1,3-7H3/q+1/b13-9+
InChIKeyVHVULWCXEFFLSH-UKTHLTGXSA-N
MW226.38 g/mol
LogP3.36
Rot. Bonds7

About trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium

trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium (PubChem CID 146647588) has the molecular formula C14H28NO+ and a molecular weight of 226.38 g/mol. Its IUPAC name is trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium
PubChem CID146647588
Molecular FormulaC14H28NO+
Molecular Weight226.38 g/mol
Exact Mass226.22
IUPAC Nametrimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium
SMILESC=C(C)CC(C[N+](C)(C)C)O/C(C)=C/CC
InChIInChI=1S/C14H28NO/c1-8-9-13(4)16-14(10-12(2)3)11-15(5,6)7/h9,14H,2,8,10-11H2,1,3-7H3/q+1/b13-9+
InChIKeyVHVULWCXEFFLSH-UKTHLTGXSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium?
The IUPAC name of trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium (CID 146647588) is trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium.
What is the SMILES notation for trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium?
The canonical SMILES for trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium is C=C(C)CC(C[N+](C)(C)C)O/C(C)=C/CC.
What is the InChIKey of trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium?
The InChIKey is VHVULWCXEFFLSH-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H28NO/c1-8-9-13(4)16-14(10-12(2)3)11-15(5,6)7/h9,14H,2,8,10-11H2,1,3-7H3/q+1/b13-9+.
What are the key properties of trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium?
trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium has a molecular weight of 226.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-2-[(E)-pent-2-en-2-yl]oxypent-4-enyl]azanium is sourced from PubChem (CID 146647588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).