[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium

C24H49NO4P+ — CID 66584997

IUPAC[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC(N)CCC1(CCC(=O)O)OCCO1
InChIInChI=1S/C24H48NO4P/c1-4-7-18-30(19-8-5-2,20-9-6-3)21-10-11-22(25)12-14-24(15-13-23(26)27)28-16-17-29-24/h22H,4-21,25H2,1-3H3/p+1
InChIKeySYXXSPHSJRQZFV-UHFFFAOYSA-O
MW446.63 g/mol
LogP5.90
Rot. Bonds19

About [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium

[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium (PubChem CID 66584997) has the molecular formula C24H49NO4P+ and a molecular weight of 446.63 g/mol. Its IUPAC name is [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium.

Molecular Properties

Compound Name[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium
PubChem CID66584997
Molecular FormulaC24H49NO4P+
Molecular Weight446.63 g/mol
Exact Mass446.34
IUPAC Name[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC(N)CCC1(CCC(=O)O)OCCO1
InChIInChI=1S/C24H48NO4P/c1-4-7-18-30(19-8-5-2,20-9-6-3)21-10-11-22(25)12-14-24(15-13-23(26)27)28-16-17-29-24/h22H,4-21,25H2,1-3H3/p+1
InChIKeySYXXSPHSJRQZFV-UHFFFAOYSA-O
XLogP5.90
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
tributyl-[3-[2-(3-oxo-3-propan-2-yloxypropyl)-1,3-dioxolan-2-yl]propyl]phosphanium
CID 71276911
3-[2-[3-(butylamino)-3-oxopropyl]-1,3-dioxolan-2-yl]propanoic acid
CID 90393249
7-aminoundecanoic acid
CID 87457372
9-aminopentadecanoic acid
CID 87304604
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
octanoic acid;trihexyl(tetradecyl)phosphanium
CID 175390516
acetic acid;heptatriacontan-19-amine
CID 173373447
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
11-aminotetradecanoic acid
CID 87305919
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium?
The IUPAC name of [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium (CID 66584997) is [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium.
What is the SMILES notation for [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium?
The canonical SMILES for [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium is CCCC[P+](CCCC)(CCCC)CCCC(N)CCC1(CCC(=O)O)OCCO1.
What is the InChIKey of [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium?
The InChIKey is SYXXSPHSJRQZFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H48NO4P/c1-4-7-18-30(19-8-5-2,20-9-6-3)21-10-11-22(25)12-14-24(15-13-23(26)27)28-16-17-29-24/h22H,4-21,25H2,1-3H3/p+1.
What are the key properties of [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium?
[4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium has a molecular weight of 446.63 g/mol, XLogP of 5.90, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]hexyl]-tributylphosphanium is sourced from PubChem (CID 66584997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).