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

C37H50Si — CID 59879153

IUPACbis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(CC1C2C=CC=CC2C2C=CC=CC21)CC1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C37H50Si/c1-3-4-5-6-7-16-25-38(2,26-36-32-21-12-8-17-28(32)29-18-9-13-22-33(29)36)27-37-34-23-14-10-19-30(34)31-20-11-15-24-35(31)37/h8-15,17-24,28-37H,3-7,16,25-27H2,1-2H3
InChIKeyZYEDMXZZMVILCM-UHFFFAOYSA-N
MW522.89 g/mol
LogP10.12
Rot. Bonds11

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

bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane (PubChem CID 59879153) has the molecular formula C37H50Si and a molecular weight of 522.89 g/mol. Its IUPAC name is bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane.

Molecular Properties

Compound Namebis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane
PubChem CID59879153
Molecular FormulaC37H50Si
Molecular Weight522.89 g/mol
Exact Mass522.37
IUPAC Namebis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(CC1C2C=CC=CC2C2C=CC=CC21)CC1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C37H50Si/c1-3-4-5-6-7-16-25-38(2,26-36-32-21-12-8-17-28(32)29-18-9-13-22-33(29)36)27-37-34-23-14-10-19-30(34)31-20-11-15-24-35(31)37/h8-15,17-24,28-37H,3-7,16,25-27H2,1-2H3
InChIKeyZYEDMXZZMVILCM-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.89
LogP ≤ 510.12
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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Related Compounds

decyl-hexadecyl-methyl-octylsilane
CID 14474508
butyl-heptyl-methyl-octylsilane
CID 168803305
dibutyl-heptyl-methylsilane
CID 168803311
butyl-dimethyl-undecylsilane
CID 54018421
ethyl-heptyl-dimethylsilane
CID 90701403
bromo-methyl-dioctylsilane
CID 140745101
6-[dihexyl(methyl)silyl]hexan-1-amine
CID 132992433
N-[dimethyl(octadecyl)silyl]methanamine
CID 87605583
1-[[[heptyl(dimethyl)silyl]amino]-dimethylsilyl]heptane
CID 12566779
1-[[[decyl(dimethyl)silyl]amino]-dimethylsilyl]decane
CID 86020332
methyl-[(E)-oct-2-enyl]-dioctylsilane
CID 173411896
dec-2-enyl-methyl-nonyl-octylsilane
CID 173411847

Frequently Asked Questions

What is the IUPAC name of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane?
The IUPAC name of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane (CID 59879153) is bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane.
What is the SMILES notation for bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane?
The canonical SMILES for bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane is CCCCCCCC[Si](C)(CC1C2C=CC=CC2C2C=CC=CC21)CC1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane?
The InChIKey is ZYEDMXZZMVILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50Si/c1-3-4-5-6-7-16-25-38(2,26-36-32-21-12-8-17-28(32)29-18-9-13-22-33(29)36)27-37-34-23-14-10-19-30(34)31-20-11-15-24-35(31)37/h8-15,17-24,28-37H,3-7,16,25-27H2,1-2H3.
What are the key properties of bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane?
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-ylmethyl)-methyl-octylsilane has a molecular weight of 522.89 g/mol, XLogP of 10.12, 11 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-ylmethyl)-methyl-octylsilane is sourced from PubChem (CID 59879153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).