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

C9H20NO+ — CID 146650580

IUPAC(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
SMILESC=C(O)CC(C)C[N+](C)(C)C
InChIInChI=1S/C9H19NO/c1-8(6-9(2)11)7-10(3,4)5/h8H,2,6-7H2,1,3-5H3/p+1
InChIKeyBWBRTILYNMXOPK-UHFFFAOYSA-O
MW158.26 g/mol
LogP1.79
Rot. Bonds4

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

(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium (PubChem CID 146650580) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium.

Molecular Properties

Compound Name(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
PubChem CID146650580
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
SMILESC=C(O)CC(C)C[N+](C)(C)C
InChIInChI=1S/C9H19NO/c1-8(6-9(2)11)7-10(3,4)5/h8H,2,6-7H2,1,3-5H3/p+1
InChIKeyBWBRTILYNMXOPK-UHFFFAOYSA-O
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-chloro-2-methyl-4-oxobutyl]-trimethylazanium
CID 89341210
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
(4R)-4-methylpentadec-1-en-2-ol
CID 122522386
3-hydroxy-4-(trimethylazaniumyl)butanoate;3-methylpentanedioic acid
CID 174950972
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
4-aminopent-1-en-2-ol;ethane
CID 144955296
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
(2-hydroxy-5-methyl-3,4-dioxohex-5-enyl)-trimethylazanium
CID 87247999

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium?
The IUPAC name of (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium (CID 146650580) is (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium.
What is the SMILES notation for (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium?
The canonical SMILES for (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium is C=C(O)CC(C)C[N+](C)(C)C.
What is the InChIKey of (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium?
The InChIKey is BWBRTILYNMXOPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-8(6-9(2)11)7-10(3,4)5/h8H,2,6-7H2,1,3-5H3/p+1.
What are the key properties of (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium?
(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium has a molecular weight of 158.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylpent-4-enyl)-trimethylazanium is sourced from PubChem (CID 146650580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).