[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane

C48H86OSi — CID 177117722

IUPAC[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane
SMILESCOC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C2CCCCC2)C2C(C)C[C@@H]3C2CC(C(C)(C)C)C[C@@H]3C2CCCCC2)[C@H]1C1CCCCC1
InChIInChI=1S/C48H86OSi/c1-31-26-38-37(33-20-14-11-15-21-33)28-35(47(3,4)5)29-40(38)45(31)50(10,36-24-18-13-19-25-36)46-32(2)27-39-41(46)30-42(48(6,7)8)44(49-9)43(39)34-22-16-12-17-23-34/h31-46H,11-30H2,1-10H3/t31?,32?,35?,37-,38+,39?,40?,41?,42?,43-,44?,45?,46?,50?/m1/s1
InChIKeyJBRNYHDQRXZTCB-XKIYINFCSA-N
MW707.30 g/mol
LogP14.61
Rot. Bonds6

About [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane

[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane (PubChem CID 177117722) has the molecular formula C48H86OSi and a molecular weight of 707.30 g/mol. Its IUPAC name is [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane.

Molecular Properties

Compound Name[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane
PubChem CID177117722
Molecular FormulaC48H86OSi
Molecular Weight707.30 g/mol
Exact Mass706.64
IUPAC Name[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane
SMILESCOC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C2CCCCC2)C2C(C)C[C@@H]3C2CC(C(C)(C)C)C[C@@H]3C2CCCCC2)[C@H]1C1CCCCC1
InChIInChI=1S/C48H86OSi/c1-31-26-38-37(33-20-14-11-15-21-33)28-35(47(3,4)5)29-40(38)45(31)50(10,36-24-18-13-19-25-36)46-32(2)27-39-41(46)30-42(48(6,7)8)44(49-9)43(39)34-22-16-12-17-23-34/h31-46H,11-30H2,1-10H3/t31?,32?,35?,37-,38+,39?,40?,41?,42?,43-,44?,45?,46?,50?/m1/s1
InChIKeyJBRNYHDQRXZTCB-XKIYINFCSA-N
XLogP14.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.30
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane with MolForge

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Launch Full Analysis

Related Compounds

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
[(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 140785668
bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 153487351
bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 162294698
16-tert-butyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 123410307
[4-(3,5-ditert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(3,4-dimethyl-7-thiatricyclo[6.4.0.02,6]dodecan-5-yl)-dimethylsilane
CID 162471773
[4-(4-tert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-(3,4-dimethyl-7-thiatricyclo[6.4.0.02,6]dodecan-5-yl)-diethylsilane
CID 164764026
bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140664993
1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane
CID 166055655
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
1-[[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-4-(3,5-ditert-butylphenyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene;carbanide;dichlorozirconium(2+)
CID 162294637

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The IUPAC name of [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane (CID 177117722) is [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane.
What is the SMILES notation for [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The canonical SMILES for [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane is COC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C2CCCCC2)C2C(C)C[C@@H]3C2CC(C(C)(C)C)C[C@@H]3C2CCCCC2)[C@H]1C1CCCCC1.
What is the InChIKey of [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The InChIKey is JBRNYHDQRXZTCB-XKIYINFCSA-N. The full InChI is InChI=1S/C48H86OSi/c1-31-26-38-37(33-20-14-11-15-21-33)28-35(47(3,4)5)29-40(38)45(31)50(10,36-24-18-13-19-25-36)46-32(2)27-39-41(46)30-42(48(6,7)8)44(49-9)43(39)34-22-16-12-17-23-34/h31-46H,11-30H2,1-10H3/t31?,32?,35?,37-,38+,39?,40?,41?,42?,43-,44?,45?,46?,50?/m1/s1.
What are the key properties of [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
[(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane has a molecular weight of 707.30 g/mol, XLogP of 14.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R)-6-tert-butyl-4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-cyclohexyl-methylsilane is sourced from PubChem (CID 177117722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).