CID 102086717

C26H52GeOSi3 — CID 102086717

IUPAC—
SMILESCC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1.C[Si](C)C.C[Si](C)C
InChIInChI=1S/C20H34GeOSi.2C3H9Si/c1-14-9-20(21-13-15(14)2,22-23(3,4)5)19-10-16-6-17(11-19)8-18(7-16)12-19;2*1-4(2)3/h16-18H,6-13H2,1-5H3;2*1-3H3
InChIKeyBADSHDHITROOTJ-UHFFFAOYSA-N
MW537.57 g/mol
LogP8.35
Rot. Bonds3

About CID 102086717

CID 102086717 (PubChem CID 102086717) has the molecular formula C26H52GeOSi3 and a molecular weight of 537.57 g/mol.

Molecular Properties

Compound NameCID 102086717
PubChem CID102086717
Molecular FormulaC26H52GeOSi3
Molecular Weight537.57 g/mol
Exact Mass538.25
IUPAC Name—
SMILESCC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1.C[Si](C)C.C[Si](C)C
InChIInChI=1S/C20H34GeOSi.2C3H9Si/c1-14-9-20(21-13-15(14)2,22-23(3,4)5)19-10-16-6-17(11-19)8-18(7-16)12-19;2*1-4(2)3/h16-18H,6-13H2,1-5H3;2*1-3H3
InChIKeyBADSHDHITROOTJ-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 102086717?
The IUPAC name of CID 102086717 (CID 102086717) is not available.
What is the SMILES notation for CID 102086717?
The canonical SMILES for CID 102086717 is CC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1.C[Si](C)C.C[Si](C)C.
What is the InChIKey of CID 102086717?
The InChIKey is BADSHDHITROOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34GeOSi.2C3H9Si/c1-14-9-20(21-13-15(14)2,22-23(3,4)5)19-10-16-6-17(11-19)8-18(7-16)12-19;2*1-4(2)3/h16-18H,6-13H2,1-5H3;2*1-3H3.
What are the key properties of CID 102086717?
CID 102086717 has a molecular weight of 537.57 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102086717 is sourced from PubChem (CID 102086717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).