bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C48H76Si — CID 91499922

IUPACbis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1=CC=C(C2CCCC3C2CC(CC2CCCCC2)C3[Si](C)(C)C2C(CC3CCCCC3)CC3C(C4=CC=C(C)CC4)CCCC32)CC1
InChIInChI=1S/C48H76Si/c1-33-21-25-37(26-22-33)41-17-11-19-43-45(41)31-39(29-35-13-7-5-8-14-35)47(43)49(3,4)48-40(30-36-15-9-6-10-16-36)32-46-42(18-12-20-44(46)48)38-27-23-34(2)24-28-38/h21,23,25,27,35-36,39-48H,5-20,22,24,26,28-32H2,1-4H3
InChIKeyFLHNIKHUHNGVEI-UHFFFAOYSA-N
MW681.22 g/mol
LogP14.81
Rot. Bonds8

About bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 91499922) has the molecular formula C48H76Si and a molecular weight of 681.22 g/mol. Its IUPAC name is bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID91499922
Molecular FormulaC48H76Si
Molecular Weight681.22 g/mol
Exact Mass680.57
IUPAC Namebis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1=CC=C(C2CCCC3C2CC(CC2CCCCC2)C3[Si](C)(C)C2C(CC3CCCCC3)CC3C(C4=CC=C(C)CC4)CCCC32)CC1
InChIInChI=1S/C48H76Si/c1-33-21-25-37(26-22-33)41-17-11-19-43-45(41)31-39(29-35-13-7-5-8-14-35)47(43)49(3,4)48-40(30-36-15-9-6-10-16-36)32-46-42(18-12-20-44(46)48)38-27-23-34(2)24-28-38/h21,23,25,27,35-36,39-48H,5-20,22,24,26,28-32H2,1-4H3
InChIKeyFLHNIKHUHNGVEI-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.22
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane with MolForge

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Related Compounds

bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140577419
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene;1-(cyclohexylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 158442689
[4-[5-[1-[dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]pentyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 166038593
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337
bis[4-(4-tert-butylphenyl)-2-(cyclohexylmethyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane;carbanide;dichlorozirconium(2+)
CID 162291574
(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 90962571
(3aZ,5E)-1-ethyl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
CID 173268331
cyclopentadecylmethylcyclopentadecane
CID 91804599
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91172293
tricyclo[5.5.0.02,6]dodecane
CID 578151
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174

Frequently Asked Questions

What is the IUPAC name of bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 91499922) is bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CC1=CC=C(C2CCCC3C2CC(CC2CCCCC2)C3[Si](C)(C)C2C(CC3CCCCC3)CC3C(C4=CC=C(C)CC4)CCCC32)CC1.
What is the InChIKey of bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is FLHNIKHUHNGVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H76Si/c1-33-21-25-37(26-22-33)41-17-11-19-43-45(41)31-39(29-35-13-7-5-8-14-35)47(43)49(3,4)48-40(30-36-15-9-6-10-16-36)32-46-42(18-12-20-44(46)48)38-27-23-34(2)24-28-38/h21,23,25,27,35-36,39-48H,5-20,22,24,26,28-32H2,1-4H3.
What are the key properties of bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 681.22 g/mol, XLogP of 14.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(cyclohexylmethyl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 91499922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).