(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium

C11H24NO2+ — CID 20730092

IUPAC(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
SMILESC=CCOCC(O)C[NH2+]CC(C)CC
InChIInChI=1S/C11H23NO2/c1-4-6-14-9-11(13)8-12-7-10(3)5-2/h4,10-13H,1,5-9H2,2-3H3/p+1
InChIKeyGSAJPBCGUGNOSJ-UHFFFAOYSA-O
MW202.32 g/mol
LogP0.16
Rot. Bonds9

About (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium

(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium (PubChem CID 20730092) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
PubChem CID20730092
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
SMILESC=CCOCC(O)C[NH2+]CC(C)CC
InChIInChI=1S/C11H23NO2/c1-4-6-14-9-11(13)8-12-7-10(3)5-2/h4,10-13H,1,5-9H2,2-3H3/p+1
InChIKeyGSAJPBCGUGNOSJ-UHFFFAOYSA-O
XLogP0.16
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
CID 3022344
sodium 1-(2-hydroxy-3-prop-2-enoxypropyl)peroxybutane-2-sulfonate
CID 59969154
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
3-(prop-2-enoxymethyl)heptane
CID 3530837

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium?
The IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium (CID 20730092) is (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium?
The canonical SMILES for (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium is C=CCOCC(O)C[NH2+]CC(C)CC.
What is the InChIKey of (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium?
The InChIKey is GSAJPBCGUGNOSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO2/c1-4-6-14-9-11(13)8-12-7-10(3)5-2/h4,10-13H,1,5-9H2,2-3H3/p+1.
What are the key properties of (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium?
(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium has a molecular weight of 202.32 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium is sourced from PubChem (CID 20730092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).