bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane

C28H48Si — CID 59978728

IUPACbis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane
SMILESC[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21
InChIInChI=1S/C28H48Si/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28/h19-28H,3-18H2,1-2H3
InChIKeyDMXCHSAVLGUBAX-UHFFFAOYSA-N
MW412.78 g/mol
LogP8.69
Rot. Bonds2

About bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane

bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane (PubChem CID 59978728) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane
PubChem CID59978728
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane
SMILESC[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21
InChIInChI=1S/C28H48Si/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28/h19-28H,3-18H2,1-2H3
InChIKeyDMXCHSAVLGUBAX-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane?
The IUPAC name of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane (CID 59978728) is bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane.
What is the SMILES notation for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane?
The canonical SMILES for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane is C[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21.
What is the InChIKey of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane?
The InChIKey is DMXCHSAVLGUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48Si/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28/h19-28H,3-18H2,1-2H3.
What are the key properties of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane?
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane has a molecular weight of 412.78 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane is sourced from PubChem (CID 59978728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).