bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane

C41H72Si — CID 166055655

IUPACbis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane
SMILESCC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCC1CCCC1)C1C(C)CC2C(C3CCCCC3)CCCC21
InChIInChI=1S/C41H72Si/c1-29-27-38-34(32-18-6-4-7-19-32)22-12-24-36(38)40(29)42(3,26-14-17-31-15-10-11-16-31)41-30(2)28-39-35(23-13-25-37(39)41)33-20-8-5-9-21-33/h29-41H,4-28H2,1-3H3
InChIKeyVRWUFPNYYVVFNW-UHFFFAOYSA-N
MW593.11 g/mol
LogP13.08
Rot. Bonds8

About bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane

bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane (PubChem CID 166055655) has the molecular formula C41H72Si and a molecular weight of 593.11 g/mol. Its IUPAC name is bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane.

Molecular Properties

Compound Namebis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane
PubChem CID166055655
Molecular FormulaC41H72Si
Molecular Weight593.11 g/mol
Exact Mass592.54
IUPAC Namebis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane
SMILESCC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCC1CCCC1)C1C(C)CC2C(C3CCCCC3)CCCC21
InChIInChI=1S/C41H72Si/c1-29-27-38-34(32-18-6-4-7-19-32)22-12-24-36(38)40(29)42(3,26-14-17-31-15-10-11-16-31)41-30(2)28-39-35(23-13-25-37(39)41)33-20-8-5-9-21-33/h29-41H,4-28H2,1-3H3
InChIKeyVRWUFPNYYVVFNW-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.11
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
(4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 140737015
[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-[5-[1-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]pentyl]-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 166038573
bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140577419
butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
CID 160507844
[(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
tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)
CID 162699641
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
CID 123393591
N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
CID 171591079
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
3-cyclobutylpropylcyclohexane
CID 54165208
bis[[3-cyclohexylpropyl(dimethyl)silyl]oxy]-dimethylsilane
CID 176640357

Frequently Asked Questions

What is the IUPAC name of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane?
The IUPAC name of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane (CID 166055655) is bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane.
What is the SMILES notation for bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane?
The canonical SMILES for bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane is CC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCC1CCCC1)C1C(C)CC2C(C3CCCCC3)CCCC21.
What is the InChIKey of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane?
The InChIKey is VRWUFPNYYVVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H72Si/c1-29-27-38-34(32-18-6-4-7-19-32)22-12-24-36(38)40(29)42(3,26-14-17-31-15-10-11-16-31)41-30(2)28-39-35(23-13-25-37(39)41)33-20-8-5-9-21-33/h29-41H,4-28H2,1-3H3.
What are the key properties of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane?
bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane has a molecular weight of 593.11 g/mol, XLogP of 13.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane is sourced from PubChem (CID 166055655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).