styrene;trimethoxy(methyl)azanium;chloride

C12H20ClNO3 — CID 172801535

IUPACstyrene;trimethoxy(methyl)azanium;chloride
SMILESC=Cc1ccccc1.CO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C8H8.C4H12NO3.ClH/c1-2-8-6-4-3-5-7-8;1-5(6-2,7-3)8-4;/h2-7H,1H2;1-4H3;1H/q;+1;/p-1
InChIKeyQXXIKLSOLSPPBW-UHFFFAOYSA-M
MW261.75 g/mol
LogP-0.55
Rot. Bonds4

About styrene;trimethoxy(methyl)azanium;chloride

styrene;trimethoxy(methyl)azanium;chloride (PubChem CID 172801535) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is styrene;trimethoxy(methyl)azanium;chloride.

Molecular Properties

Compound Namestyrene;trimethoxy(methyl)azanium;chloride
PubChem CID172801535
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Namestyrene;trimethoxy(methyl)azanium;chloride
SMILESC=Cc1ccccc1.CO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C8H8.C4H12NO3.ClH/c1-2-8-6-4-3-5-7-8;1-5(6-2,7-3)8-4;/h2-7H,1H2;1-4H3;1H/q;+1;/p-1
InChIKeyQXXIKLSOLSPPBW-UHFFFAOYSA-M
XLogP-0.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of styrene;trimethoxy(methyl)azanium;chloride?
The IUPAC name of styrene;trimethoxy(methyl)azanium;chloride (CID 172801535) is styrene;trimethoxy(methyl)azanium;chloride.
What is the SMILES notation for styrene;trimethoxy(methyl)azanium;chloride?
The canonical SMILES for styrene;trimethoxy(methyl)azanium;chloride is C=Cc1ccccc1.CO[N+](C)(OC)OC.[Cl-].
What is the InChIKey of styrene;trimethoxy(methyl)azanium;chloride?
The InChIKey is QXXIKLSOLSPPBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8.C4H12NO3.ClH/c1-2-8-6-4-3-5-7-8;1-5(6-2,7-3)8-4;/h2-7H,1H2;1-4H3;1H/q;+1;/p-1.
What are the key properties of styrene;trimethoxy(methyl)azanium;chloride?
styrene;trimethoxy(methyl)azanium;chloride has a molecular weight of 261.75 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;trimethoxy(methyl)azanium;chloride is sourced from PubChem (CID 172801535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).