2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine

C170H296ClN9O27P2+2 — CID 157098445

About 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine

2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine (PubChem CID 157098445) has the molecular formula C170H296ClN9O27P2+2 and a molecular weight of 2995.67 g/mol. Its IUPAC name is 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine.

Molecular Properties

• Compound Name: 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine
• PubChem CID: 157098445
• Molecular Formula: C170H296ClN9O27P2+2
• Molecular Weight: 2995.67 g/mol
• Exact Mass: 2993.12
• IUPAC Name: 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine
• SMILES: CCC(C)(C)C(=O)Cl.CCCCCCCCCCCCCCCCCCOc1cc(COC(=O)CCC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(COC(=O)CCC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[P+](=O)[O-])cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.C[P+](=O)O.C[n+]1cc[nH]c1.Cn1ccnc1.c1ccncc1
• InChI: InChI=1S/C75H131N2O13P.C75H132N2O11.C6H11ClO.C5H5N.2C4H6N2.CH3O2P/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-55-84-67-58-65(62-87-71(78)53-54-72(79)90-66-60-70(89-69(66)63-88-91(82)83)77-61-64(4)74(80)76-75(77)81)59-68(85-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)73(67)86-57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-55-83-67-58-65(63-86-71(79)53-54-72(80)88-66-60-70(87-69(66)62-78)77-61-64(4)74(81)76-75(77)82)59-68(84-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)73(67)85-57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-4-6(2,3)5(7)8;1-2-4-6-5-3-1;2*1-6-3-2-5-4-6;1-4(2)3/h58-59,61,66,69-70H,5-57,60,62-63H2,1-4H3,(H,76,80,81);58-59,61,66,69-70,78H,5-57,60,62-63H2,1-4H3,(H,76,81,82);4H2,1-3H3;1-5H;2*2-4H,1H3;1H3/p+2/t2*66?,69-,70-;;;;;/m11...../s1
• InChIKey: AWLAQOWPHBZKKO-KCXJSHNXSA-P
• XLogP: 44.88
• TPSA: 463.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 128
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2995.67
LogP ≤ 5	44.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine?

The IUPAC name of 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine (CID 157098445) is 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine.

What is the SMILES notation for 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine?

The canonical SMILES for 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine is CCC(C)(C)C(=O)Cl.CCCCCCCCCCCCCCCCCCOc1cc(COC(=O)CCC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(COC(=O)CCC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[P+](=O)[O-])cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.C[P+](=O)O.C[n+]1cc[nH]c1.Cn1ccnc1.c1ccncc1.

What is the InChIKey of 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine?

The InChIKey is AWLAQOWPHBZKKO-KCXJSHNXSA-P. The full InChI is InChI=1S/C75H131N2O13P.C75H132N2O11.C6H11ClO.C5H5N.2C4H6N2.CH3O2P/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-55-84-67-58-65(62-87-71(78)53-54-72(79)90-66-60-70(89-69(66)63-88-91(82)83)77-61-64(4)74(80)76-75(77)81)59-68(85-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)73(67)86-57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-55-83-67-58-65(63-86-71(79)53-54-72(80)88-66-60-70(87-69(66)62-78)77-61-64(4)74(81)76-75(77)82)59-68(84-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)73(67)85-57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-4-6(2,3)5(7)8;1-2-4-6-5-3-1;2*1-6-3-2-5-4-6;1-4(2)3/h58-59,61,66,69-70H,5-57,60,62-63H2,1-4H3,(H,76,80,81);58-59,61,66,69-70,78H,5-57,60,62-63H2,1-4H3,(H,76,81,82);4H2,1-3H3;1-5H;2*2-4H,1H3;1H3/p+2/t2*66?,69-,70-;;;;;/m11...../s1.

What are the key properties of 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine?

2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine has a molecular weight of 2995.67 g/mol, XLogP of 44.88, 128 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylbutanoyl chloride;4-O-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[(3,4,5-trioctadecoxyphenyl)methyl] butanedioate;hydroxy-methyl-oxophosphanium;[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[4-oxo-4-[(3,4,5-trioctadecoxyphenyl)methoxy]butanoyl]oxyoxolan-2-yl]methoxy-oxido-oxophosphanium;1-methylimidazole;3-methyl-1H-imidazol-3-ium;pyridine is sourced from PubChem (CID 157098445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).