cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane

C43H78Si — CID 164791074

IUPACcyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane
SMILESCC1CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C1CCCCC1)C1C(C)C(C)C(C)C1C
InChIInChI=1S/C43H78Si/c1-26-21-37-38(40(26)44(12,35-18-14-13-15-19-35)41-29(4)27(2)28(3)30(41)5)24-31-17-16-20-36(31)39(37)32-22-33(42(6,7)8)25-34(23-32)43(9,10)11/h26-41H,13-25H2,1-12H3
InChIKeyBZFIMVJGAXPTQX-UHFFFAOYSA-N
MW623.18 g/mol
LogP13.53
Rot. Bonds4

About cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane

cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane (PubChem CID 164791074) has the molecular formula C43H78Si and a molecular weight of 623.18 g/mol. Its IUPAC name is cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane.

Molecular Properties

Compound Namecyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane
PubChem CID164791074
Molecular FormulaC43H78Si
Molecular Weight623.18 g/mol
Exact Mass622.59
IUPAC Namecyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane
SMILESCC1CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C1CCCCC1)C1C(C)C(C)C(C)C1C
InChIInChI=1S/C43H78Si/c1-26-21-37-38(40(26)44(12,35-18-14-13-15-19-35)41-29(4)27(2)28(3)30(41)5)24-31-17-16-20-36(31)39(37)32-22-33(42(6,7)8)25-34(23-32)43(9,10)11/h26-41H,13-25H2,1-12H3
InChIKeyBZFIMVJGAXPTQX-UHFFFAOYSA-N
XLogP13.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.18
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane?
The IUPAC name of cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane (CID 164791074) is cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane.
What is the SMILES notation for cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane?
The canonical SMILES for cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane is CC1CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C1CCCCC1)C1C(C)C(C)C(C)C1C.
What is the InChIKey of cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane?
The InChIKey is BZFIMVJGAXPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H78Si/c1-26-21-37-38(40(26)44(12,35-18-14-13-15-19-35)41-29(4)27(2)28(3)30(41)5)24-31-17-16-20-36(31)39(37)32-22-33(42(6,7)8)25-34(23-32)43(9,10)11/h26-41H,13-25H2,1-12H3.
What are the key properties of cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane?
cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane has a molecular weight of 623.18 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane is sourced from PubChem (CID 164791074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).