(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium

C9H20NO+ — CID 21115588

IUPAC(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium
SMILESC=C(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h9,11H,1,6-7H2,2-5H3/q+1
InChIKeyUWSWZMDIZSLFMR-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.02
Rot. Bonds4

About (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium

(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium (PubChem CID 21115588) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium
PubChem CID21115588
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium
SMILESC=C(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h9,11H,1,6-7H2,2-5H3/q+1
InChIKeyUWSWZMDIZSLFMR-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium (CID 21115588) is (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium is C=C(C)CC(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium?
The InChIKey is UWSWZMDIZSLFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h9,11H,1,6-7H2,2-5H3/q+1.
What are the key properties of (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium?
(2-hydroxy-4-methylpent-4-enyl)-trimethylazanium has a molecular weight of 158.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylpent-4-enyl)-trimethylazanium is sourced from PubChem (CID 21115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).