CID 101495849

C24H52GeO2Si3 — CID 101495849

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.C[Si](C)C
InChIInChI=1S/C21H43GeO2Si2.C3H9Si/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;1-4(2)3/h13H,14-16H2,1-12H3;1-3H3/b19-13+;/t21-;/m1./s1
InChIKeyUOBKMHYOFFZRDU-OTODTIFTSA-N
MW529.55 g/mol
LogP8.52
Rot. Bonds6

About CID 101495849

CID 101495849 (PubChem CID 101495849) has the molecular formula C24H52GeO2Si3 and a molecular weight of 529.55 g/mol.

Molecular Properties

Compound NameCID 101495849
PubChem CID101495849
Molecular FormulaC24H52GeO2Si3
Molecular Weight529.55 g/mol
Exact Mass530.25
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.C[Si](C)C
InChIInChI=1S/C21H43GeO2Si2.C3H9Si/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;1-4(2)3/h13H,14-16H2,1-12H3;1-3H3/b19-13+;/t21-;/m1./s1
InChIKeyUOBKMHYOFFZRDU-OTODTIFTSA-N
XLogP8.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.55
LogP ≤ 58.52
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 101495849?
The IUPAC name of CID 101495849 (CID 101495849) is not available.
What is the SMILES notation for CID 101495849?
The canonical SMILES for CID 101495849 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.C[Si](C)C.
What is the InChIKey of CID 101495849?
The InChIKey is UOBKMHYOFFZRDU-OTODTIFTSA-N. The full InChI is InChI=1S/C21H43GeO2Si2.C3H9Si/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;1-4(2)3/h13H,14-16H2,1-12H3;1-3H3/b19-13+;/t21-;/m1./s1.
What are the key properties of CID 101495849?
CID 101495849 has a molecular weight of 529.55 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101495849 is sourced from PubChem (CID 101495849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).