lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

C33H52LiO3P — CID 173243207

IUPAClithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCC(CC)COc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC(CC)CCCC)c1.[H-].[Li+]
InChIInChI=1S/C33H51O3P.Li.H/c1-9-13-15-27(11-3)21-35-29-17-18-31(30(20-29)36-22-28(12-4)16-14-10-2)37-33(34)32-24(6)19-23(5)25(7)26(32)8;;/h17-20,27-28,37H,9-16,21-22H2,1-8H3;;/q;+1;-1
InChIKeyOEZKPNLCDANWGA-UHFFFAOYSA-N
MW534.69 g/mol
LogP6.37
Rot. Bonds17

About lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (PubChem CID 173243207) has the molecular formula C33H52LiO3P and a molecular weight of 534.69 g/mol. Its IUPAC name is lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
PubChem CID173243207
Molecular FormulaC33H52LiO3P
Molecular Weight534.69 g/mol
Exact Mass534.38
IUPAC Namelithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCC(CC)COc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC(CC)CCCC)c1.[H-].[Li+]
InChIInChI=1S/C33H51O3P.Li.H/c1-9-13-15-27(11-3)21-35-29-17-18-31(30(20-29)36-22-28(12-4)16-14-10-2)37-33(34)32-24(6)19-23(5)25(7)26(32)8;;/h17-20,27-28,37H,9-16,21-22H2,1-8H3;;/q;+1;-1
InChIKeyOEZKPNLCDANWGA-UHFFFAOYSA-N
XLogP6.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
CID 173245898
lithium;(4-tert-butylphenyl)-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phosphanylmethanone;hydride
CID 173244723
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802

Frequently Asked Questions

What is the IUPAC name of lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The IUPAC name of lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (CID 173243207) is lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The canonical SMILES for lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is CCCCC(CC)COc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC(CC)CCCC)c1.[H-].[Li+].
What is the InChIKey of lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The InChIKey is OEZKPNLCDANWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51O3P.Li.H/c1-9-13-15-27(11-3)21-35-29-17-18-31(30(20-29)36-22-28(12-4)16-14-10-2)37-33(34)32-24(6)19-23(5)25(7)26(32)8;;/h17-20,27-28,37H,9-16,21-22H2,1-8H3;;/q;+1;-1.
What are the key properties of lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride has a molecular weight of 534.69 g/mol, XLogP of 6.37, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is sourced from PubChem (CID 173243207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).