trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

C66H122O7Si4 — CID 90730846

IUPACtrimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
SMILESCC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C.CC(C[Si](C)(C)C)OC(=O)C1CC2CC1C1C3CC(C(C)C3C)C21.CCC(C)(C)C(=O)OC(C)C[Si](C)(C)C.CCC(C)(C)c1ccc(OC(C)C[Si](C)(C)C)cc1
InChIInChI=1S/C21H36O2Si.C17H30OSi.C16H30O2Si.C12H26O2Si/c1-11(10-24(4,5)6)23-21(22)18-8-14-7-17(18)20-16-9-15(19(14)20)12(2)13(16)3;1-8-17(3,4)15-9-11-16(12-10-15)18-14(2)13-19(5,6)7;1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2;1-8-12(3,4)11(13)14-10(2)9-15(5,6)7/h11-20H,7-10H2,1-6H3;9-12,14H,8,13H2,1-7H3;10-15H,7-9H2,1-6H3;10H,8-9H2,1-7H3
InChIKeyZYPNPPCDEGQCMQ-UHFFFAOYSA-N
MW1140.04 g/mol
LogP18.42
Rot. Bonds19

About trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate (PubChem CID 90730846) has the molecular formula C66H122O7Si4 and a molecular weight of 1140.04 g/mol. Its IUPAC name is trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate.

Molecular Properties

Compound Nametrimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
PubChem CID90730846
Molecular FormulaC66H122O7Si4
Molecular Weight1140.04 g/mol
Exact Mass1138.83
IUPAC Nametrimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
SMILESCC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C.CC(C[Si](C)(C)C)OC(=O)C1CC2CC1C1C3CC(C(C)C3C)C21.CCC(C)(C)C(=O)OC(C)C[Si](C)(C)C.CCC(C)(C)c1ccc(OC(C)C[Si](C)(C)C)cc1
InChIInChI=1S/C21H36O2Si.C17H30OSi.C16H30O2Si.C12H26O2Si/c1-11(10-24(4,5)6)23-21(22)18-8-14-7-17(18)20-16-9-15(19(14)20)12(2)13(16)3;1-8-17(3,4)15-9-11-16(12-10-15)18-14(2)13-19(5,6)7;1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2;1-8-12(3,4)11(13)14-10(2)9-15(5,6)7/h11-20H,7-10H2,1-6H3;9-12,14H,8,13H2,1-7H3;10-15H,7-9H2,1-6H3;10H,8-9H2,1-7H3
InChIKeyZYPNPPCDEGQCMQ-UHFFFAOYSA-N
XLogP18.42
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.04
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate with MolForge

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Related Compounds

2-methylbutan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 18336353
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
1-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate
CID 59805445
2-methylbutan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336244
butan-2-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-hydroxyethyl 2,2-dimethylbutanoate
CID 162026205
butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;3,3-dimethylbutan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 90823661
ethyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325864
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 90901644
decyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 91445554
1-(2-adamantyloxy)ethyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methyl 2,2-dimethylbutanoate
CID 90978913

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?
The IUPAC name of trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate (CID 90730846) is trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate.
What is the SMILES notation for trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?
The canonical SMILES for trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate is CC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C.CC(C[Si](C)(C)C)OC(=O)C1CC2CC1C1C3CC(C(C)C3C)C21.CCC(C)(C)C(=O)OC(C)C[Si](C)(C)C.CCC(C)(C)c1ccc(OC(C)C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?
The InChIKey is ZYPNPPCDEGQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si.C17H30OSi.C16H30O2Si.C12H26O2Si/c1-11(10-24(4,5)6)23-21(22)18-8-14-7-17(18)20-16-9-15(19(14)20)12(2)13(16)3;1-8-17(3,4)15-9-11-16(12-10-15)18-14(2)13-19(5,6)7;1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2;1-8-12(3,4)11(13)14-10(2)9-15(5,6)7/h11-20H,7-10H2,1-6H3;9-12,14H,8,13H2,1-7H3;10-15H,7-9H2,1-6H3;10H,8-9H2,1-7H3.
What are the key properties of trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate?
trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate has a molecular weight of 1140.04 g/mol, XLogP of 18.42, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(2-methylbutan-2-yl)phenoxy]propyl]silane;1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1-trimethylsilylpropan-2-yl 2,2-dimethylbutanoate;1-trimethylsilylpropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate is sourced from PubChem (CID 90730846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).