CID 101495850

C21H43GeO2Si2 — CID 101495850

IUPAC—
SMILESCC1=C(C)C[C@@](O[Si](C)(C)C)(C(C)(C)C)[Ge](C/C=C(\C)O[Si](C)(C)C)C1
InChIInChI=1S/C21H43GeO2Si2/c1-17-15-21(20(4,5)6,24-26(10,11)12)22(16-18(17)2)14-13-19(3)23-25(7,8)9/h13H,14-16H2,1-12H3/b19-13+/t21-/m1/s1
InChIKeyLPSRNDLTLCWWQA-UBXANZILSA-N
MW456.36 g/mol
LogP7.15
Rot. Bonds6

About CID 101495850

CID 101495850 (PubChem CID 101495850) has the molecular formula C21H43GeO2Si2 and a molecular weight of 456.36 g/mol.

Molecular Properties

Compound NameCID 101495850
PubChem CID101495850
Molecular FormulaC21H43GeO2Si2
Molecular Weight456.36 g/mol
Exact Mass457.20
IUPAC Name—
SMILESCC1=C(C)C[C@@](O[Si](C)(C)C)(C(C)(C)C)[Ge](C/C=C(\C)O[Si](C)(C)C)C1
InChIInChI=1S/C21H43GeO2Si2/c1-17-15-21(20(4,5)6,24-26(10,11)12)22(16-18(17)2)14-13-19(3)23-25(7,8)9/h13H,14-16H2,1-12H3/b19-13+/t21-/m1/s1
InChIKeyLPSRNDLTLCWWQA-UBXANZILSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101495850?
The IUPAC name of CID 101495850 (CID 101495850) is not available.
What is the SMILES notation for CID 101495850?
The canonical SMILES for CID 101495850 is CC1=C(C)C[C@@](O[Si](C)(C)C)(C(C)(C)C)[Ge](C/C=C(\C)O[Si](C)(C)C)C1.
What is the InChIKey of CID 101495850?
The InChIKey is LPSRNDLTLCWWQA-UBXANZILSA-N. The full InChI is InChI=1S/C21H43GeO2Si2/c1-17-15-21(20(4,5)6,24-26(10,11)12)22(16-18(17)2)14-13-19(3)23-25(7,8)9/h13H,14-16H2,1-12H3/b19-13+/t21-/m1/s1.
What are the key properties of CID 101495850?
CID 101495850 has a molecular weight of 456.36 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101495850 is sourced from PubChem (CID 101495850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).