2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene

C21H30Si2 — CID 174063325

IUPAC2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene
SMILESCc1ccc2c(c1)[Si](C)(C)c1ccc(C(C)(C)C)cc1[Si]2(C)C
InChIInChI=1S/C21H30Si2/c1-15-9-11-17-19(13-15)22(5,6)18-12-10-16(21(2,3)4)14-20(18)23(17,7)8/h9-14H,1-8H3
InChIKeyKPQWSQNFHCMNBV-UHFFFAOYSA-N
MW338.64 g/mol
LogP3.25
Rot. Bonds

About 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene

2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene (PubChem CID 174063325) has the molecular formula C21H30Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene.

Molecular Properties

Compound Name2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene
PubChem CID174063325
Molecular FormulaC21H30Si2
Molecular Weight338.64 g/mol
Exact Mass338.19
IUPAC Name2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene
SMILESCc1ccc2c(c1)[Si](C)(C)c1ccc(C(C)(C)C)cc1[Si]2(C)C
InChIInChI=1S/C21H30Si2/c1-15-9-11-17-19(13-15)22(5,6)18-12-10-16(21(2,3)4)14-20(18)23(17,7)8/h9-14H,1-8H3
InChIKeyKPQWSQNFHCMNBV-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,5,8-pentamethylbenzo[b][1]benzosilole
CID 58038585
1-tert-butyl-4-methylbenzene
CID 163486601
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1,4-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173062231
5,11,17-tritert-butyl-8,8,14,14,22,22-hexamethyl-1-aza-8,14,22-trisilahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 158710594
3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole
CID 58352081
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
CID 157036733
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene?
The IUPAC name of 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene (CID 174063325) is 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene.
What is the SMILES notation for 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene?
The canonical SMILES for 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene is Cc1ccc2c(c1)[Si](C)(C)c1ccc(C(C)(C)C)cc1[Si]2(C)C.
What is the InChIKey of 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene?
The InChIKey is KPQWSQNFHCMNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Si2/c1-15-9-11-17-19(13-15)22(5,6)18-12-10-16(21(2,3)4)14-20(18)23(17,7)8/h9-14H,1-8H3.
What are the key properties of 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene?
2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene has a molecular weight of 338.64 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5,7,10,10-pentamethylsilanthrene is sourced from PubChem (CID 174063325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).