bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane

C35H46Si — CID 20576735

IUPACbis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C35H46Si/c1-3-4-5-6-7-16-25-36(2,34-30-21-12-8-17-26(30)27-18-9-13-22-31(27)34)35-32-23-14-10-19-28(32)29-20-11-15-24-33(29)35/h8-15,17-24,26-35H,3-7,16,25H2,1-2H3
InChIKeyJVKCSVBSCIDKHJ-UHFFFAOYSA-N
MW494.84 g/mol
LogP9.63
Rot. Bonds9

About bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane

bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane (PubChem CID 20576735) has the molecular formula C35H46Si and a molecular weight of 494.84 g/mol. Its IUPAC name is bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane.

Molecular Properties

Compound Namebis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
PubChem CID20576735
Molecular FormulaC35H46Si
Molecular Weight494.84 g/mol
Exact Mass494.34
IUPAC Namebis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C35H46Si/c1-3-4-5-6-7-16-25-36(2,34-30-21-12-8-17-26(30)27-18-9-13-22-31(27)34)35-32-23-14-10-19-28(32)29-20-11-15-24-33(29)35/h8-15,17-24,26-35H,3-7,16,25H2,1-2H3
InChIKeyJVKCSVBSCIDKHJ-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.84
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane?
The IUPAC name of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane (CID 20576735) is bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane.
What is the SMILES notation for bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane?
The canonical SMILES for bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane is CCCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane?
The InChIKey is JVKCSVBSCIDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46Si/c1-3-4-5-6-7-16-25-36(2,34-30-21-12-8-17-26(30)27-18-9-13-22-31(27)34)35-32-23-14-10-19-28(32)29-20-11-15-24-33(29)35/h8-15,17-24,26-35H,3-7,16,25H2,1-2H3.
What are the key properties of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane?
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane has a molecular weight of 494.84 g/mol, XLogP of 9.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane is sourced from PubChem (CID 20576735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).