CID 134902618

C27H49ScSi2- — CID 134902618

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Sc]
InChIInChI=1S/2C10H15.C7H19Si2.Sc/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyYZVJHAACDPLFDE-UHFFFAOYSA-N
MW474.82 g/mol
LogP8.89
Rot. Bonds2

About CID 134902618

CID 134902618 (PubChem CID 134902618) has the molecular formula C27H49ScSi2- and a molecular weight of 474.82 g/mol.

Molecular Properties

Compound NameCID 134902618
PubChem CID134902618
Molecular FormulaC27H49ScSi2-
Molecular Weight474.82 g/mol
Exact Mass474.29
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Sc]
InChIInChI=1S/2C10H15.C7H19Si2.Sc/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyYZVJHAACDPLFDE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 58.89
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 134902093
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CID 134902262
CID 134902262
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CID 134927005
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046588
CID 135046588
CID 135046625
CID 135046625
CID 135046628
CID 135046628
CID 135046629
CID 135046629
CID 135046650
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CID 135046651

Frequently Asked Questions

What is the IUPAC name of CID 134902618?
The IUPAC name of CID 134902618 (CID 134902618) is not available.
What is the SMILES notation for CID 134902618?
The canonical SMILES for CID 134902618 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Sc].
What is the InChIKey of CID 134902618?
The InChIKey is YZVJHAACDPLFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Sc/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;.
What are the key properties of CID 134902618?
CID 134902618 has a molecular weight of 474.82 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902618 is sourced from PubChem (CID 134902618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).