2-hydroxyhex-5-enyl(trimethyl)azanium

C9H20NO+ — CID 173205630

IUPAC2-hydroxyhex-5-enyl(trimethyl)azanium
SMILESC=CCCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-5-6-7-9(11)8-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1
InChIKeyBNVWQLHCRIBEBG-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.02
Rot. Bonds5

About 2-hydroxyhex-5-enyl(trimethyl)azanium

2-hydroxyhex-5-enyl(trimethyl)azanium (PubChem CID 173205630) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 2-hydroxyhex-5-enyl(trimethyl)azanium.

Molecular Properties

Compound Name2-hydroxyhex-5-enyl(trimethyl)azanium
PubChem CID173205630
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name2-hydroxyhex-5-enyl(trimethyl)azanium
SMILESC=CCCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-5-6-7-9(11)8-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1
InChIKeyBNVWQLHCRIBEBG-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-hydroxyhex-5-enyl(trimethyl)azanium?
The IUPAC name of 2-hydroxyhex-5-enyl(trimethyl)azanium (CID 173205630) is 2-hydroxyhex-5-enyl(trimethyl)azanium.
What is the SMILES notation for 2-hydroxyhex-5-enyl(trimethyl)azanium?
The canonical SMILES for 2-hydroxyhex-5-enyl(trimethyl)azanium is C=CCCC(O)C[N+](C)(C)C.
What is the InChIKey of 2-hydroxyhex-5-enyl(trimethyl)azanium?
The InChIKey is BNVWQLHCRIBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-5-6-7-9(11)8-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1.
What are the key properties of 2-hydroxyhex-5-enyl(trimethyl)azanium?
2-hydroxyhex-5-enyl(trimethyl)azanium has a molecular weight of 158.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhex-5-enyl(trimethyl)azanium is sourced from PubChem (CID 173205630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).