CID 134902093

C27H49LuSi3- — CID 134902093

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/C20H30Si.C7H19Si2.Lu/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;
InChIKeyHTRZSXNGERAOFH-UHFFFAOYSA-N
MW632.91 g/mol
LogP8.65
Rot. Bonds4

About CID 134902093

CID 134902093 (PubChem CID 134902093) has the molecular formula C27H49LuSi3- and a molecular weight of 632.91 g/mol.

Molecular Properties

Compound NameCID 134902093
PubChem CID134902093
Molecular FormulaC27H49LuSi3-
Molecular Weight632.91 g/mol
Exact Mass632.26
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/C20H30Si.C7H19Si2.Lu/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;
InChIKeyHTRZSXNGERAOFH-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.91
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 134882043
CID 134901980
CID 134901980
CID 134902262
CID 134902262
CID 134902618
CID 134902618
CID 134903036
CID 134903036
CID 134927005
CID 134927005
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
CID 134977275
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046588
CID 135046588
CID 135046625
CID 135046625
CID 135046628
CID 135046628

Frequently Asked Questions

What is the IUPAC name of CID 134902093?
The IUPAC name of CID 134902093 (CID 134902093) is not available.
What is the SMILES notation for CID 134902093?
The canonical SMILES for CID 134902093 is C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu].
What is the InChIKey of CID 134902093?
The InChIKey is HTRZSXNGERAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C7H19Si2.Lu/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;.
What are the key properties of CID 134902093?
CID 134902093 has a molecular weight of 632.91 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902093 is sourced from PubChem (CID 134902093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).