CID 11457419

C51H102Ge3Si3 — CID 11457419

IUPAC—
SMILESC/C(C[Ge])=C(\C)C[Ge].CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.Cc1cc(C)c([Ge])c(C)c1
InChIInChI=1S/3C12H27Si.C9H11Ge.C6H10Ge2/c3*1-10(2,3)13(11(4,5)6)12(7,8)9;1-6-4-7(2)9(10)8(3)5-6;1-5(3-7)6(2)4-8/h3*1-9H3;4-5H,1-3H3;3-4H2,1-2H3/b;;;;6-5-
InChIKeyOUARCRPQHNGWCH-ATPZUGCGSA-N
MW1017.46 g/mol
LogP17.55
Rot. Bonds2

About CID 11457419

CID 11457419 (PubChem CID 11457419) has the molecular formula C51H102Ge3Si3 and a molecular weight of 1017.46 g/mol.

Molecular Properties

Compound NameCID 11457419
PubChem CID11457419
Molecular FormulaC51H102Ge3Si3
Molecular Weight1017.46 g/mol
Exact Mass1020.49
IUPAC Name—
SMILESC/C(C[Ge])=C(\C)C[Ge].CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.Cc1cc(C)c([Ge])c(C)c1
InChIInChI=1S/3C12H27Si.C9H11Ge.C6H10Ge2/c3*1-10(2,3)13(11(4,5)6)12(7,8)9;1-6-4-7(2)9(10)8(3)5-6;1-5(3-7)6(2)4-8/h3*1-9H3;4-5H,1-3H3;3-4H2,1-2H3/b;;;;6-5-
InChIKeyOUARCRPQHNGWCH-ATPZUGCGSA-N
XLogP17.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.46
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
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2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
CID 11172007
CID 21461988
CID 21461988
CID 21461694
CID 21461694
2,2-dimethyl-3-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
CID 116853026
2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64639679
2-tert-butyl-4,6-dimethylphenol
CID 87814182
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 11457419?
The IUPAC name of CID 11457419 (CID 11457419) is not available.
What is the SMILES notation for CID 11457419?
The canonical SMILES for CID 11457419 is C/C(C[Ge])=C(\C)C[Ge].CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.CC(C)(C)[Si](C(C)(C)C)C(C)(C)C.Cc1cc(C)c([Ge])c(C)c1.
What is the InChIKey of CID 11457419?
The InChIKey is OUARCRPQHNGWCH-ATPZUGCGSA-N. The full InChI is InChI=1S/3C12H27Si.C9H11Ge.C6H10Ge2/c3*1-10(2,3)13(11(4,5)6)12(7,8)9;1-6-4-7(2)9(10)8(3)5-6;1-5(3-7)6(2)4-8/h3*1-9H3;4-5H,1-3H3;3-4H2,1-2H3/b;;;;6-5-.
What are the key properties of CID 11457419?
CID 11457419 has a molecular weight of 1017.46 g/mol, XLogP of 17.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11457419 is sourced from PubChem (CID 11457419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).