CID 135046370

C28H52Si2Th — CID 135046370

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Th+2]
InChIInChI=1S/2C10H15.2C4H11Si.Th/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;/h2*1-5H3;2*1H2,2-4H3;/q;;2*-1;+2
InChIKeyZUEUUGQAPVOBSR-UHFFFAOYSA-N
MW676.93 g/mol
LogP9.34
Rot. Bonds

About CID 135046370

CID 135046370 (PubChem CID 135046370) has the molecular formula C28H52Si2Th and a molecular weight of 676.93 g/mol.

Molecular Properties

Compound NameCID 135046370
PubChem CID135046370
Molecular FormulaC28H52Si2Th
Molecular Weight676.93 g/mol
Exact Mass676.40
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Th+2]
InChIInChI=1S/2C10H15.2C4H11Si.Th/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;/h2*1-5H3;2*1H2,2-4H3;/q;;2*-1;+2
InChIKeyZUEUUGQAPVOBSR-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.93
LogP ≤ 59.34
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 134902618
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CID 134903036
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CID 134927005
CID 134927005
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
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CID 135046625

Frequently Asked Questions

What is the IUPAC name of CID 135046370?
The IUPAC name of CID 135046370 (CID 135046370) is not available.
What is the SMILES notation for CID 135046370?
The canonical SMILES for CID 135046370 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Th+2].
What is the InChIKey of CID 135046370?
The InChIKey is ZUEUUGQAPVOBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2C4H11Si.Th/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;/h2*1-5H3;2*1H2,2-4H3;/q;;2*-1;+2.
What are the key properties of CID 135046370?
CID 135046370 has a molecular weight of 676.93 g/mol, XLogP of 9.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046370 is sourced from PubChem (CID 135046370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).