[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium

C21H25O2P2+ — CID 163666585

IUPAC[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium
SMILESO=C(O)CC1CCC([PH3+])C12CC2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2P2/c22-20(23)13-15-11-12-18(24)21(15)14-19(21)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14,24H2,(H,22,23)/p+1
InChIKeyIYZVATAZLJVUJY-UHFFFAOYSA-O
MW371.38 g/mol
LogP3.74
Rot. Bonds5

About [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium

[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium (PubChem CID 163666585) has the molecular formula C21H25O2P2+ and a molecular weight of 371.38 g/mol. Its IUPAC name is [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium.

Molecular Properties

Compound Name[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium
PubChem CID163666585
Molecular FormulaC21H25O2P2+
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC Name[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium
SMILESO=C(O)CC1CCC([PH3+])C12CC2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2P2/c22-20(23)13-15-11-12-18(24)21(15)14-19(21)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14,24H2,(H,22,23)/p+1
InChIKeyIYZVATAZLJVUJY-UHFFFAOYSA-O
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

rac-trans-(1R,2R)-1-Benzyl-2-phenylcyclopropanecarboxylic acid
CID 24766723
Rac-(1S,2S)-1-benzyl-2-phenylcyclopropanecarboxylic acid
CID 127031028
2,2-Diphenylcyclopropanecarboxylic acid
CID 98071
Spiro[cyclopropane-2,9'-fluorene]-1-carboxylic acid
CID 272190
cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 127032711
(1S)-2,2-diphenylcyclopropane-1-carboxylic acid
CID 787533
3,3-Diphenylcyclopentane-1-carboxylic acid
CID 21330958
1-Benzyl-2-phenylcyclopropane-1-carboxylic acid
CID 86176889
2,2-Dimethylspiro[cyclopropane-3,9'-fluorene]-1-carboxylic acid
CID 85833195
(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid
CID 12869602
p-Diphenyl-(carboxyphenyl)-phosphin
CID 129629750
(1S,5S,6R)-6-phenyl-1-(2-phenylethyl)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 139049631

Frequently Asked Questions

What is the IUPAC name of [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium?
The IUPAC name of [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium (CID 163666585) is [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium.
What is the SMILES notation for [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium?
The canonical SMILES for [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium is O=C(O)CC1CCC([PH3+])C12CC2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium?
The InChIKey is IYZVATAZLJVUJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24O2P2/c22-20(23)13-15-11-12-18(24)21(15)14-19(21)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14,24H2,(H,22,23)/p+1.
What are the key properties of [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium?
[4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium has a molecular weight of 371.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carboxymethyl)-2-diphenylphosphanylspiro[2.4]heptan-7-yl]phosphanium is sourced from PubChem (CID 163666585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).