tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane

C123H223Cl3O21Si6 — CID 162252536

IUPACtert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane
SMILESC#CO[Si](C)(C)C.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CCC1C2(C)C.CCO[Si](C)(C)OCC.CO[Si](C)(C)C.CO[Si](C)(C)OC.CO[Si](C)(OC)OC.C[Si](Cl)(Cl)Cl.[H][H].[H][H]
InChIInChI=1S/5C17H26O2.C14H24O2.C6H16O2Si.C5H10OSi.C4H12O3Si.C4H12O2Si.C4H12OSi.CH3Cl3Si.2H2/c5*1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-13(2,3)16-12(15)10-8-9-6-7-11(10)14(9,4)5;1-5-7-9(3,4)8-6-2;1-5-6-7(2,3)4;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-5(2,3)4;;/h5*9-15H,4-8H2,1-3H3;9-11H,6-8H2,1-5H3;5-6H2,1-4H3;1H,2-4H3;1-4H3;1-4H3;1-4H3;1H3;2*1H
InChIKeyZYECXSBPELOATG-UHFFFAOYSA-N
MW2312.99 g/mol
LogP30.53
Rot. Bonds17

About tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane

tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane (PubChem CID 162252536) has the molecular formula C123H223Cl3O21Si6 and a molecular weight of 2312.99 g/mol. Its IUPAC name is tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane.

Molecular Properties

Compound Nametert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane
PubChem CID162252536
Molecular FormulaC123H223Cl3O21Si6
Molecular Weight2312.99 g/mol
Exact Mass2309.41
IUPAC Nametert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane
SMILESC#CO[Si](C)(C)C.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CCC1C2(C)C.CCO[Si](C)(C)OCC.CO[Si](C)(C)C.CO[Si](C)(C)OC.CO[Si](C)(OC)OC.C[Si](Cl)(Cl)Cl.[H][H].[H][H]
InChIInChI=1S/5C17H26O2.C14H24O2.C6H16O2Si.C5H10OSi.C4H12O3Si.C4H12O2Si.C4H12OSi.CH3Cl3Si.2H2/c5*1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-13(2,3)16-12(15)10-8-9-6-7-11(10)14(9,4)5;1-5-7-9(3,4)8-6-2;1-5-6-7(2,3)4;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-5(2,3)4;;/h5*9-15H,4-8H2,1-3H3;9-11H,6-8H2,1-5H3;5-6H2,1-4H3;1H,2-4H3;1-4H3;1-4H3;1-4H3;1H3;2*1H
InChIKeyZYECXSBPELOATG-UHFFFAOYSA-N
XLogP30.53
TPSA240.87 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.99
LogP ≤ 530.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane
CID 90822079
ethane;methyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 90923052
bis(3-(11,11-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1-trifluoropropan-2-ol);bis(3-(12,12-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1-trifluoropropan-2-ol);tetrakis(rutherfordium);tetramethylsilane;trichloro(methyl)silane;triethoxy(methyl)silane;trimethoxy(methyl)silane
CID 160609505
butane;2,2-dimethylpropyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methyl prop-2-enoate
CID 161322337
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)
CID 158312851
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
2-methylbutan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 18336353
tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 91021133
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013
tert-butyl 9-prop-2-enoyloxytetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 10246191
1,1,1,3,3-pentafluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 71263581

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane?
The IUPAC name of tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane (CID 162252536) is tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane.
What is the SMILES notation for tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane?
The canonical SMILES for tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane is C#CO[Si](C)(C)C.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CCC1C2(C)C.CCO[Si](C)(C)OCC.CO[Si](C)(C)C.CO[Si](C)(C)OC.CO[Si](C)(OC)OC.C[Si](Cl)(Cl)Cl.[H][H].[H][H].
What is the InChIKey of tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane?
The InChIKey is ZYECXSBPELOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H26O2.C14H24O2.C6H16O2Si.C5H10OSi.C4H12O3Si.C4H12O2Si.C4H12OSi.CH3Cl3Si.2H2/c5*1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-13(2,3)16-12(15)10-8-9-6-7-11(10)14(9,4)5;1-5-7-9(3,4)8-6-2;1-5-6-7(2,3)4;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-5(2,3)4;;/h5*9-15H,4-8H2,1-3H3;9-11H,6-8H2,1-5H3;5-6H2,1-4H3;1H,2-4H3;1-4H3;1-4H3;1-4H3;1H3;2*1H.
What are the key properties of tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane?
tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane has a molecular weight of 2312.99 g/mol, XLogP of 30.53, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate;pentakis(tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate);diethoxy(dimethyl)silane;dimethoxy(dimethyl)silane;ethynoxy(trimethyl)silane;methoxy(trimethyl)silane;molecular hydrogen;trichloro(methyl)silane;trimethoxy(methyl)silane is sourced from PubChem (CID 162252536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).