bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane

C30H52Si — CID 91445457

IUPACbis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane
SMILESCCC[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C30H52Si/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30/h21-30H,3-20H2,1-2H3
InChIKeyFXFFZVLDJXYZBT-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.47
Rot. Bonds4

About bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane

bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane (PubChem CID 91445457) has the molecular formula C30H52Si and a molecular weight of 440.83 g/mol. Its IUPAC name is bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane.

Molecular Properties

Compound Namebis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane
PubChem CID91445457
Molecular FormulaC30H52Si
Molecular Weight440.83 g/mol
Exact Mass440.38
IUPAC Namebis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane
SMILESCCC[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C30H52Si/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30/h21-30H,3-20H2,1-2H3
InChIKeyFXFFZVLDJXYZBT-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.47
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(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane?
The IUPAC name of bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane (CID 91445457) is bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane.
What is the SMILES notation for bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane?
The canonical SMILES for bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane is CCC[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane?
The InChIKey is FXFFZVLDJXYZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52Si/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30/h21-30H,3-20H2,1-2H3.
What are the key properties of bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane?
bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane has a molecular weight of 440.83 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-methyl-propylsilane is sourced from PubChem (CID 91445457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).