[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C52H93GeNOSi6 — CID 102091999

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCc1cc(C)c(C2=NO[Ge]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C52H93GeNOSi6/c1-34(2)40-30-42(35(3)4)47(43(31-40)36(5)6)53(49(54-55-53)46-38(8)28-37(7)29-39(46)9)48-44(51(58(16,17)18)59(19,20)21)32-41(50(56(10,11)12)57(13,14)15)33-45(48)52(60(22,23)24)61(25,26)27/h28-36,50-52H,1-27H3
InChIKeyKLGOHGKOPRUBJV-UHFFFAOYSA-N
MW989.45 g/mol
LogP15.53
Rot. Bonds15

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 102091999) has the molecular formula C52H93GeNOSi6 and a molecular weight of 989.45 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID102091999
Molecular FormulaC52H93GeNOSi6
Molecular Weight989.45 g/mol
Exact Mass989.51
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCc1cc(C)c(C2=NO[Ge]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C52H93GeNOSi6/c1-34(2)40-30-42(35(3)4)47(43(31-40)36(5)6)53(49(54-55-53)46-38(8)28-37(7)29-39(46)9)48-44(51(58(16,17)18)59(19,20)21)32-41(50(56(10,11)12)57(13,14)15)33-45(48)52(60(22,23)24)61(25,26)27/h28-36,50-52H,1-27H3
InChIKeyKLGOHGKOPRUBJV-UHFFFAOYSA-N
XLogP15.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.45
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 102091999) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is Cc1cc(C)c(C2=NO[Ge]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is KLGOHGKOPRUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H93GeNOSi6/c1-34(2)40-30-42(35(3)4)47(43(31-40)36(5)6)53(49(54-55-53)46-38(8)28-37(7)29-39(46)9)48-44(51(58(16,17)18)59(19,20)21)32-41(50(56(10,11)12)57(13,14)15)33-45(48)52(60(22,23)24)61(25,26)27/h28-36,50-52H,1-27H3.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 989.45 g/mol, XLogP of 15.53, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 102091999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).