dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride

C81H141Cl3N2O18 — CID 157089301

IUPACdichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride
SMILESC(=NC1CCCCC1)=NC1CCCCC1.C=CC(=O)Cl.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)O.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)OCCCCCCCCCCCCCCCCCCC.CC(CO)(CO)C(=O)O.CCCCCCCCCCCCCCCCCCO.ClCCl
InChIInChI=1S/C30H52O6.C18H38O.C13H22N2.C11H14O6.C5H10O4.C3H3ClO.CH2Cl2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-29(33)30(4,25-35-27(31)6-2)26-36-28(32)7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-4-8(12)16-6-11(3,10(14)15)7-17-9(13)5-2;1-5(2-6,3-7)4(8)9;1-2-3(4)5;2-1-3/h6-7H,2-3,5,8-26H2,1,4H3;19H,2-18H2,1H3;12-13H,1-10H2;4-5H,1-2,6-7H2,3H3,(H,14,15);6-7H,2-3H2,1H3,(H,8,9);2H,1H2;1H2
InChIKeyAELXSDNHWCXEDE-UHFFFAOYSA-N
MW1537.37 g/mol
LogP19.67
Rot. Bonds54

About dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride

dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride (PubChem CID 157089301) has the molecular formula C81H141Cl3N2O18 and a molecular weight of 1537.37 g/mol. Its IUPAC name is dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride.

Molecular Properties

Compound Namedichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride
PubChem CID157089301
Molecular FormulaC81H141Cl3N2O18
Molecular Weight1537.37 g/mol
Exact Mass1534.92
IUPAC Namedichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride
SMILESC(=NC1CCCCC1)=NC1CCCCC1.C=CC(=O)Cl.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)O.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)OCCCCCCCCCCCCCCCCCCC.CC(CO)(CO)C(=O)O.CCCCCCCCCCCCCCCCCCO.ClCCl
InChIInChI=1S/C30H52O6.C18H38O.C13H22N2.C11H14O6.C5H10O4.C3H3ClO.CH2Cl2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-29(33)30(4,25-35-27(31)6-2)26-36-28(32)7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-4-8(12)16-6-11(3,10(14)15)7-17-9(13)5-2;1-5(2-6,3-7)4(8)9;1-2-3(4)5;2-1-3/h6-7H,2-3,5,8-26H2,1,4H3;19H,2-18H2,1H3;12-13H,1-10H2;4-5H,1-2,6-7H2,3H3,(H,14,15);6-7H,2-3H2,1H3,(H,8,9);2H,1H2;1H2
InChIKeyAELXSDNHWCXEDE-UHFFFAOYSA-N
XLogP19.67
TPSA308.58 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds54
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.37
LogP ≤ 519.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride with MolForge

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Related Compounds

N,N'-dicyclohexylmethanediimine;1,3-dicyclohexylurea;(12,13-dihexyl-24-prop-2-enoyloxytetracosyl) prop-2-enoate;12,13-dihexyltetracosane-1,24-diol;prop-2-enoic acid
CID 159480289
decan-1-ol;decyl prop-2-enoate
CID 158001479
N,N'-dicyclohexylmethanediimine;4-hexoxybenzoic acid
CID 158425705
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
2,2-bis(hydroxymethyl)propane-1,3-diol;dodecyl prop-2-enoate;tris(prop-2-enoic acid)
CID 175253886
octadecyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709243
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride?
The IUPAC name of dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride (CID 157089301) is dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride.
What is the SMILES notation for dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride?
The canonical SMILES for dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride is C(=NC1CCCCC1)=NC1CCCCC1.C=CC(=O)Cl.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)O.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)OCCCCCCCCCCCCCCCCCCC.CC(CO)(CO)C(=O)O.CCCCCCCCCCCCCCCCCCO.ClCCl.
What is the InChIKey of dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride?
The InChIKey is AELXSDNHWCXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O6.C18H38O.C13H22N2.C11H14O6.C5H10O4.C3H3ClO.CH2Cl2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-29(33)30(4,25-35-27(31)6-2)26-36-28(32)7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-4-8(12)16-6-11(3,10(14)15)7-17-9(13)5-2;1-5(2-6,3-7)4(8)9;1-2-3(4)5;2-1-3/h6-7H,2-3,5,8-26H2,1,4H3;19H,2-18H2,1H3;12-13H,1-10H2;4-5H,1-2,6-7H2,3H3,(H,14,15);6-7H,2-3H2,1H3,(H,8,9);2H,1H2;1H2.
What are the key properties of dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride?
dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride has a molecular weight of 1537.37 g/mol, XLogP of 19.67, 54 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N'-dicyclohexylmethanediimine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoic acid;nonadecyl 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;octadecan-1-ol;prop-2-enoyl chloride is sourced from PubChem (CID 157089301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).