6-hydroxyhexyl-bis(prop-2-enyl)azanium

C12H24NO+ — CID 58700851

IUPAC6-hydroxyhexyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCCCCCO
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-O
MW198.33 g/mol
LogP0.80
Rot. Bonds10

About 6-hydroxyhexyl-bis(prop-2-enyl)azanium

6-hydroxyhexyl-bis(prop-2-enyl)azanium (PubChem CID 58700851) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is 6-hydroxyhexyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name6-hydroxyhexyl-bis(prop-2-enyl)azanium
PubChem CID58700851
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name6-hydroxyhexyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCCCCCO
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-O
XLogP0.80
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl-bis(prop-2-enyl)azanium?
The IUPAC name of 6-hydroxyhexyl-bis(prop-2-enyl)azanium (CID 58700851) is 6-hydroxyhexyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 6-hydroxyhexyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 6-hydroxyhexyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)CCCCCCO.
What is the InChIKey of 6-hydroxyhexyl-bis(prop-2-enyl)azanium?
The InChIKey is HPLIPWHUTCBKBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1.
What are the key properties of 6-hydroxyhexyl-bis(prop-2-enyl)azanium?
6-hydroxyhexyl-bis(prop-2-enyl)azanium has a molecular weight of 198.33 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 58700851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).