(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane

C38H54Si2 — CID 101091348

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
SMILESCC1(C)C2CCC(C[Si](C)(C)c3ccc(C#Cc4ccc([Si](C)(C)CC5CCC6CC5C6(C)C)cc4)cc3)C1C2
InChIInChI=1S/C38H54Si2/c1-37(2)31-17-15-29(35(37)23-31)25-39(5,6)33-19-11-27(12-20-33)9-10-28-13-21-34(22-14-28)40(7,8)26-30-16-18-32-24-36(30)38(32,3)4/h11-14,19-22,29-32,35-36H,15-18,23-26H2,1-8H3
InChIKeyJJLQGUQSOCIWQO-UHFFFAOYSA-N
MW567.02 g/mol
LogP9.06
Rot. Bonds6

About (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane

(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane (PubChem CID 101091348) has the molecular formula C38H54Si2 and a molecular weight of 567.02 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
PubChem CID101091348
Molecular FormulaC38H54Si2
Molecular Weight567.02 g/mol
Exact Mass566.38
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
SMILESCC1(C)C2CCC(C[Si](C)(C)c3ccc(C#Cc4ccc([Si](C)(C)CC5CCC6CC5C6(C)C)cc4)cc3)C1C2
InChIInChI=1S/C38H54Si2/c1-37(2)31-17-15-29(35(37)23-31)25-39(5,6)33-19-11-27(12-20-33)9-10-28-13-21-34(22-14-28)40(7,8)26-30-16-18-32-24-36(30)38(32,3)4/h11-14,19-22,29-32,35-36H,15-18,23-26H2,1-8H3
InChIKeyJJLQGUQSOCIWQO-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.02
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane with MolForge

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Related Compounds

Trimethyl-[2-[16-(2-trimethylsilylethynyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl]ethynyl]silane
CID 14940711
2-[5-Tert-butyl-2-[2-[11,13,15-tris[2-[4-tert-butyl-2-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 134885176
Agn-PC-0LP5SU
CID 5251055
Octaphenylcubane
CID 57162748
Tetrakis(4-trimethylsilylethynylphenyl)adamantane
CID 129826509
1,4-Dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene
CID 163496464
2,5-Dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane
CID 13215505
[(E)-3-[bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]prop-1-enyl]-dimethyl-phenylsilane
CID 11453968
Tert-butyl-dimethyl-[3,6,9-tribenzhydrylidene-11-[tert-butyl(dimethyl)silyl]undeca-1,4,7,10-tetraynyl]silane
CID 24755418
Trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane
CID 25147174
2,2'-Bis((2'-(((2,3-dimethylbutan-2-yl)dimethylsilyl)ethynyl)-(1,1'-binaphthalen)-2-yl)buta-1,3-diyn-1-yl)-1,1'-binaphthalene
CID 73553221
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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane (CID 101091348) is (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane is CC1(C)C2CCC(C[Si](C)(C)c3ccc(C#Cc4ccc([Si](C)(C)CC5CCC6CC5C6(C)C)cc4)cc3)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The InChIKey is JJLQGUQSOCIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54Si2/c1-37(2)31-17-15-29(35(37)23-31)25-39(5,6)33-19-11-27(12-20-33)9-10-28-13-21-34(22-14-28)40(7,8)26-30-16-18-32-24-36(30)38(32,3)4/h11-14,19-22,29-32,35-36H,15-18,23-26H2,1-8H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane has a molecular weight of 567.02 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane is sourced from PubChem (CID 101091348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).