CID 102086718

C20H34GeOSi — CID 102086718

IUPAC—
SMILESCC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1
InChIInChI=1S/C20H34GeOSi/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/h16-18H,6-13H2,1-5H3
InChIKeyCCGGGIBBNZEKGQ-UHFFFAOYSA-N
MW391.19 g/mol
LogP5.61
Rot. Bonds3

About CID 102086718

CID 102086718 (PubChem CID 102086718) has the molecular formula C20H34GeOSi and a molecular weight of 391.19 g/mol.

Molecular Properties

Compound NameCID 102086718
PubChem CID102086718
Molecular FormulaC20H34GeOSi
Molecular Weight391.19 g/mol
Exact Mass392.16
IUPAC Name—
SMILESCC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1
InChIInChI=1S/C20H34GeOSi/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/h16-18H,6-13H2,1-5H3
InChIKeyCCGGGIBBNZEKGQ-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.19
LogP ≤ 55.61
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 102086718?
The IUPAC name of CID 102086718 (CID 102086718) is not available.
What is the SMILES notation for CID 102086718?
The canonical SMILES for CID 102086718 is CC1=C(C)CC(O[Si](C)(C)C)(C23CC4CC(CC(C4)C2)C3)[Ge]C1.
What is the InChIKey of CID 102086718?
The InChIKey is CCGGGIBBNZEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34GeOSi/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/h16-18H,6-13H2,1-5H3.
What are the key properties of CID 102086718?
CID 102086718 has a molecular weight of 391.19 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102086718 is sourced from PubChem (CID 102086718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).