tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane

C21H38O3Si — CID 90822079

IUPACtert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane
SMILESCC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CO[Si](C)(C)C
InChIInChI=1S/C17H26O2.C4H12OSi/c1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-5-6(2,3)4/h9-15H,4-8H2,1-3H3;1-4H3
InChIKeyJQIFGLRWPHKPQA-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.11
Rot. Bonds2

About tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane

tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane (PubChem CID 90822079) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane.

Molecular Properties

Compound Nametert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane
PubChem CID90822079
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane
SMILESCC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CO[Si](C)(C)C
InChIInChI=1S/C17H26O2.C4H12OSi/c1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-5-6(2,3)4/h9-15H,4-8H2,1-3H3;1-4H3
InChIKeyJQIFGLRWPHKPQA-UHFFFAOYSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)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

ethane;methyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 90923052
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
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
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
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 90901644
2-methoxysulfonylethyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 88981064
tert-butyl (1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 58855747
2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl acetate
CID 20736138
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 7-acetamidobicyclo[2.2.1]heptane-2-carboxylate
CID 163458051

Frequently Asked Questions

What is the IUPAC name of tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane?
The IUPAC name of tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane (CID 90822079) is tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane.
What is the SMILES notation for tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane?
The canonical SMILES for tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane is CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CO[Si](C)(C)C.
What is the InChIKey of tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane?
The InChIKey is JQIFGLRWPHKPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C4H12OSi/c1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-5-6(2,3)4/h9-15H,4-8H2,1-3H3;1-4H3.
What are the key properties of tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane?
tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane has a molecular weight of 366.62 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane is sourced from PubChem (CID 90822079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).