tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane

C156H292O26Si10 — CID 158218417

IUPACtert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane
SMILESCC(C)(C)OC(=O)C1CCCCC1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)C2CCCCC2)CC2CCC1C2.CC1(OC(=O)C2CCCCC2)CC2CCC1O2.CC1(OC(=O)C2CCCCC2)CCCC1.CC1(OC(=O)C2CCCCC2)CCCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)C1CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
InChIInChI=1S/C15H24O2.C14H22O3.C14H24O2.C14H18O2.C13H22O2.C13H16O2.C12H22O2.C12H16O2.C11H20O2.C11H14O2.5C4H12OSi.C3H10Si.4CH6Si/c1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(9-11-7-8-12(14)16-11)17-13(15)10-5-3-2-4-6-10;2*1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;5*1-5-3-2-4-6;1-2-3-4;4*1-2/h11-13H,2-10H2,1H3;10-12H,2-9H2,1H3;12H,2-11H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;11H,2-10H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;10H,4-9H2,1-3H3;5-9H,4H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;5*2-4H2,1,6H3;2-3H2,1,4H3;4*1-2H3
InChIKeyGCYIGZMZOWBCCJ-UHFFFAOYSA-N
MW2864.89 g/mol
LogP29.22
Rot. Bonds36

About tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane

tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane (PubChem CID 158218417) has the molecular formula C156H292O26Si10 and a molecular weight of 2864.89 g/mol. Its IUPAC name is tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane.

Molecular Properties

Compound Nametert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane
PubChem CID158218417
Molecular FormulaC156H292O26Si10
Molecular Weight2864.89 g/mol
Exact Mass2861.92
IUPAC Nametert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane
SMILESCC(C)(C)OC(=O)C1CCCCC1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)C2CCCCC2)CC2CCC1C2.CC1(OC(=O)C2CCCCC2)CC2CCC1O2.CC1(OC(=O)C2CCCCC2)CCCC1.CC1(OC(=O)C2CCCCC2)CCCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)C1CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
InChIInChI=1S/C15H24O2.C14H22O3.C14H24O2.C14H18O2.C13H22O2.C13H16O2.C12H22O2.C12H16O2.C11H20O2.C11H14O2.5C4H12OSi.C3H10Si.4CH6Si/c1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(9-11-7-8-12(14)16-11)17-13(15)10-5-3-2-4-6-10;2*1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;5*1-5-3-2-4-6;1-2-3-4;4*1-2/h11-13H,2-10H2,1H3;10-12H,2-9H2,1H3;12H,2-11H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;11H,2-10H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;10H,4-9H2,1-3H3;5-9H,4H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;5*2-4H2,1,6H3;2-3H2,1,4H3;4*1-2H3
InChIKeyGCYIGZMZOWBCCJ-UHFFFAOYSA-N
XLogP29.22
TPSA318.38 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.89
LogP ≤ 529.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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'}

Analyze tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane?
The IUPAC name of tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane (CID 158218417) is tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane.
What is the SMILES notation for tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane?
The canonical SMILES for tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane is CC(C)(C)OC(=O)C1CCCCC1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)C2CCCCC2)CC2CCC1C2.CC1(OC(=O)C2CCCCC2)CC2CCC1O2.CC1(OC(=O)C2CCCCC2)CCCC1.CC1(OC(=O)C2CCCCC2)CCCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)C1CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].
What is the InChIKey of tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane?
The InChIKey is GCYIGZMZOWBCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C14H22O3.C14H24O2.C14H18O2.C13H22O2.C13H16O2.C12H22O2.C12H16O2.C11H20O2.C11H14O2.5C4H12OSi.C3H10Si.4CH6Si/c1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(9-11-7-8-12(14)16-11)17-13(15)10-5-3-2-4-6-10;2*1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;5*1-5-3-2-4-6;1-2-3-4;4*1-2/h11-13H,2-10H2,1H3;10-12H,2-9H2,1H3;12H,2-11H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;11H,2-10H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;10H,4-9H2,1-3H3;5-9H,4H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;5*2-4H2,1,6H3;2-3H2,1,4H3;4*1-2H3.
What are the key properties of tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane?
tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane has a molecular weight of 2864.89 g/mol, XLogP of 29.22, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane is sourced from PubChem (CID 158218417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).