(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium

C10H22NO+ — CID 174901394

IUPAC(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium
SMILESC=C(C)CC(C(C)O)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-8(2)7-10(9(3)12)11(4,5)6/h9-10,12H,1,7H2,2-6H3/q+1
InChIKeyKOUGTJLBQXKKKK-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.41
Rot. Bonds4

About (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium

(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium (PubChem CID 174901394) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium
PubChem CID174901394
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium
SMILESC=C(C)CC(C(C)O)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-8(2)7-10(9(3)12)11(4,5)6/h9-10,12H,1,7H2,2-6H3/q+1
InChIKeyKOUGTJLBQXKKKK-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.41
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-5-methylhex-5-en-3-yl)-trimethylazanium?
The IUPAC name of (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium (CID 174901394) is (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium is C=C(C)CC(C(C)O)[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium?
The InChIKey is KOUGTJLBQXKKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-8(2)7-10(9(3)12)11(4,5)6/h9-10,12H,1,7H2,2-6H3/q+1.
What are the key properties of (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium?
(2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium has a molecular weight of 172.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylhex-5-en-3-yl)-trimethylazanium is sourced from PubChem (CID 174901394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).