2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane

C53H100N2O13Si3 — CID 159101024

IUPAC2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane
SMILESC.C.C=C(C)C(=O)OCCOC(=O)CCC1(C)CC(NC(=O)C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)NC2CC(C)(C)CC(C)(CCC(=O)OCCOC(=O)C(=C)C)C2)CC(C)(C)C1
InChIInChI=1S/C51H92N2O13Si3.2CH4/c1-38(2)45(57)63-27-25-61-43(55)18-20-50(9)32-40(30-48(5,6)35-50)52-42(54)34-67(11,12)37-69(15,16)66-68(13,14)29-17-22-60-23-24-65-47(59)53-41-31-49(7,8)36-51(10,33-41)21-19-44(56)62-26-28-64-46(58)39(3)4;;/h40-41H,1,3,17-37H2,2,4-16H3,(H,52,54)(H,53,59);2*1H4
InChIKeyKDHAACSWRMZGGW-UHFFFAOYSA-N
MW1057.64 g/mol
LogP11.24
Rot. Bonds29

About 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane

2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane (PubChem CID 159101024) has the molecular formula C53H100N2O13Si3 and a molecular weight of 1057.64 g/mol. Its IUPAC name is 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Name2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane
PubChem CID159101024
Molecular FormulaC53H100N2O13Si3
Molecular Weight1057.64 g/mol
Exact Mass1056.65
IUPAC Name2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane
SMILESC.C.C=C(C)C(=O)OCCOC(=O)CCC1(C)CC(NC(=O)C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)NC2CC(C)(C)CC(C)(CCC(=O)OCCOC(=O)C(=C)C)C2)CC(C)(C)C1
InChIInChI=1S/C51H92N2O13Si3.2CH4/c1-38(2)45(57)63-27-25-61-43(55)18-20-50(9)32-40(30-48(5,6)35-50)52-42(54)34-67(11,12)37-69(15,16)66-68(13,14)29-17-22-60-23-24-65-47(59)53-41-31-49(7,8)36-51(10,33-41)21-19-44(56)62-26-28-64-46(58)39(3)4;;/h40-41H,1,3,17-37H2,2,4-16H3,(H,52,54)(H,53,59);2*1H4
InChIKeyKDHAACSWRMZGGW-UHFFFAOYSA-N
XLogP11.24
TPSA191.09 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.64
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane with MolForge

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Related Compounds

2-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 6-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]hexanoate
CID 177065437
2-[2-[3-[[3-[2-[[5-[[4-[2-(2-acetyloxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-3,3,4,4-tetrafluorobutoxy]carbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 169316213
6-O-[2-[2-[3-[5-(ethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoyloxy]ethoxy]ethyl] 1-O-ethyl hexanedioate
CID 159405637
[3-[[3-[[5-[[dimethyl-[5-[[1,3,3-trimethyl-5-[3-(2-methylprop-2-enoylperoxy)propanoylamino]cyclohexyl]methylcarbamoylperoxy]pentyl]silyl]oxy-dimethylsilyl]pentylperoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]amino]-3-oxopropyl] 2-methylprop-2-eneperoxoate
CID 161127055
2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 89121059
2-[[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 177065445
2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane
CID 160877261
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
2-[[3-[[[6,8-dioxo-13-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]tridecoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 177065449
2-[[3,3,5-trimethyl-5-[[[4-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxymethyl]cyclohexyl]methoxycarbonylamino]methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 146238395
2-[[3,3,5-trimethyl-5-[[3-[[1,3,3-trimethyl-5-[(2-propoxyacetyl)amino]cyclohexyl]methylcarbamoyloxy]propanoylamino]methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658969
2-[2-[4-[2-[3-[2-[[3-[[2-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174013434

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane?
The IUPAC name of 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane (CID 159101024) is 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane?
The canonical SMILES for 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane is C.C.C=C(C)C(=O)OCCOC(=O)CCC1(C)CC(NC(=O)C[Si](C)(C)C[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)NC2CC(C)(C)CC(C)(CCC(=O)OCCOC(=O)C(=C)C)C2)CC(C)(C)C1.
What is the InChIKey of 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane?
The InChIKey is KDHAACSWRMZGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H92N2O13Si3.2CH4/c1-38(2)45(57)63-27-25-61-43(55)18-20-50(9)32-40(30-48(5,6)35-50)52-42(54)34-67(11,12)37-69(15,16)66-68(13,14)29-17-22-60-23-24-65-47(59)53-41-31-49(7,8)36-51(10,33-41)21-19-44(56)62-26-28-64-46(58)39(3)4;;/h40-41H,1,3,17-37H2,2,4-16H3,(H,52,54)(H,53,59);2*1H4.
What are the key properties of 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane?
2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane has a molecular weight of 1057.64 g/mol, XLogP of 11.24, 29 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[[2-[[[dimethyl-[3-[2-[[3,3,5-trimethyl-5-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]cyclohexyl]carbamoyloxy]ethoxy]propyl]silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 159101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).