(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane

C34H60S2Si — CID 58746997

IUPAC(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC(C)C1CC2C(SC(C)C2C2CCCCC2)C1[Si](C)(C)C1C(C)CC2C1SC(C)C2C1CCCCC1
InChIInChI=1S/C34H60S2Si/c1-20(2)26-19-28-30(25-16-12-9-13-17-25)23(5)36-32(28)34(26)37(6,7)33-21(3)18-27-29(22(4)35-31(27)33)24-14-10-8-11-15-24/h20-34H,8-19H2,1-7H3
InChIKeyAPNPJOXESQOBGT-UHFFFAOYSA-N
MW561.07 g/mol
LogP10.78
Rot. Bonds5

About (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane

(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane (PubChem CID 58746997) has the molecular formula C34H60S2Si and a molecular weight of 561.07 g/mol. Its IUPAC name is (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
PubChem CID58746997
Molecular FormulaC34H60S2Si
Molecular Weight561.07 g/mol
Exact Mass560.39
IUPAC Name(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC(C)C1CC2C(SC(C)C2C2CCCCC2)C1[Si](C)(C)C1C(C)CC2C1SC(C)C2C1CCCCC1
InChIInChI=1S/C34H60S2Si/c1-20(2)26-19-28-30(25-16-12-9-13-17-25)23(5)36-32(28)34(26)37(6,7)33-21(3)18-27-29(22(4)35-31(27)33)24-14-10-8-11-15-24/h20-34H,8-19H2,1-7H3
InChIKeyAPNPJOXESQOBGT-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.07
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

[3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 58746988
[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
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
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
[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
N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine
CID 162292885
[(1S,2S,4R)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(1S,2S,4R,6S)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91868180
2-cyclohexyl-1,3,4-tri(propan-2-yl)cyclohexane
CID 101318410
[(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
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886651
(2-methylcyclopropyl)cyclooctane
CID 19768877
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The IUPAC name of (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane (CID 58746997) is (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane.
What is the SMILES notation for (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The canonical SMILES for (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane is CC(C)C1CC2C(SC(C)C2C2CCCCC2)C1[Si](C)(C)C1C(C)CC2C1SC(C)C2C1CCCCC1.
What is the InChIKey of (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The InChIKey is APNPJOXESQOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60S2Si/c1-20(2)26-19-28-30(25-16-12-9-13-17-25)23(5)36-32(28)34(26)37(6,7)33-21(3)18-27-29(22(4)35-31(27)33)24-14-10-8-11-15-24/h20-34H,8-19H2,1-7H3.
What are the key properties of (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
(3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane has a molecular weight of 561.07 g/mol, XLogP of 10.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-(3-cyclohexyl-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)-dimethylsilane is sourced from PubChem (CID 58746997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).