bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane

C28H32Si — CID 91456640

IUPACbis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane
SMILESC[Si](C)(C12CCC=CC1=C1C=CC=CC1C2)C12CCC=CC1=C1C=CC=CC1C2
InChIInChI=1S/C28H32Si/c1-29(2,27-17-9-7-15-25(27)23-13-5-3-11-21(23)19-27)28-18-10-8-16-26(28)24-14-6-4-12-22(24)20-28/h3-8,11-16,21-22H,9-10,17-20H2,1-2H3
InChIKeySWWCGIKKCAVEAY-UHFFFAOYSA-N
MW396.65 g/mol
LogP7.76
Rot. Bonds2

About bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane

bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane (PubChem CID 91456640) has the molecular formula C28H32Si and a molecular weight of 396.65 g/mol. Its IUPAC name is bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane
PubChem CID91456640
Molecular FormulaC28H32Si
Molecular Weight396.65 g/mol
Exact Mass396.23
IUPAC Namebis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane
SMILESC[Si](C)(C12CCC=CC1=C1C=CC=CC1C2)C12CCC=CC1=C1C=CC=CC1C2
InChIInChI=1S/C28H32Si/c1-29(2,27-17-9-7-15-25(27)23-13-5-3-11-21(23)19-27)28-18-10-8-16-26(28)24-14-6-4-12-22(24)20-28/h3-8,11-16,21-22H,9-10,17-20H2,1-2H3
InChIKeySWWCGIKKCAVEAY-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 57.76
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(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane?
The IUPAC name of bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane (CID 91456640) is bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane.
What is the SMILES notation for bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane?
The canonical SMILES for bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane is C[Si](C)(C12CCC=CC1=C1C=CC=CC1C2)C12CCC=CC1=C1C=CC=CC1C2.
What is the InChIKey of bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane?
The InChIKey is SWWCGIKKCAVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Si/c1-29(2,27-17-9-7-15-25(27)23-13-5-3-11-21(23)19-27)28-18-10-8-16-26(28)24-14-6-4-12-22(24)20-28/h3-8,11-16,21-22H,9-10,17-20H2,1-2H3.
What are the key properties of bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane?
bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane has a molecular weight of 396.65 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7,8,9,9a-tetrahydrofluoren-8a-yl)-dimethylsilane is sourced from PubChem (CID 91456640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).