CID 134902262

C27H49Si3Y- — CID 134902262

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.[Y]
InChIInChI=1S/C20H30Si.C7H19Si2.Y/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;
InChIKeyLWUSLIWPUFNJLE-UHFFFAOYSA-N
MW546.85 g/mol
LogP8.65
Rot. Bonds4

About CID 134902262

CID 134902262 (PubChem CID 134902262) has the molecular formula C27H49Si3Y- and a molecular weight of 546.85 g/mol.

Molecular Properties

Compound NameCID 134902262
PubChem CID134902262
Molecular FormulaC27H49Si3Y-
Molecular Weight546.85 g/mol
Exact Mass546.22
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.[Y]
InChIInChI=1S/C20H30Si.C7H19Si2.Y/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;
InChIKeyLWUSLIWPUFNJLE-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 ≤ 500546.85
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
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CID 134902093
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CID 134902618
CID 134903036
CID 134903036
CID 134927005
CID 134927005
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
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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 134902262?
The IUPAC name of CID 134902262 (CID 134902262) is not available.
What is the SMILES notation for CID 134902262?
The canonical SMILES for CID 134902262 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.[Y].
What is the InChIKey of CID 134902262?
The InChIKey is LWUSLIWPUFNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C7H19Si2.Y/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 134902262?
CID 134902262 has a molecular weight of 546.85 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 134902262 is sourced from PubChem (CID 134902262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).