CID 135922762

C25H38OSi-2 — CID 135922762

IUPAC—
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C([CH-]/C=C(\C)[CH-]CC1)C2(C)C
InChIInChI=1S/C25H38OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14-16H,2,10-11,13,18H2,1,3-9H3/q-2/b20-15+
InChIKeySCTRRQXILMINAP-HMMYKYKNSA-N
MW382.66 g/mol
LogP7.20
Rot. Bonds2

About CID 135922762

CID 135922762 (PubChem CID 135922762) has the molecular formula C25H38OSi-2 and a molecular weight of 382.66 g/mol.

Molecular Properties

Compound NameCID 135922762
PubChem CID135922762
Molecular FormulaC25H38OSi-2
Molecular Weight382.66 g/mol
Exact Mass382.27
IUPAC Name—
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C([CH-]/C=C(\C)[CH-]CC1)C2(C)C
InChIInChI=1S/C25H38OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14-16H,2,10-11,13,18H2,1,3-9H3/q-2/b20-15+
InChIKeySCTRRQXILMINAP-HMMYKYKNSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135922762?
The IUPAC name of CID 135922762 (CID 135922762) is not available.
What is the SMILES notation for CID 135922762?
The canonical SMILES for CID 135922762 is C=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C([CH-]/C=C(\C)[CH-]CC1)C2(C)C.
What is the InChIKey of CID 135922762?
The InChIKey is SCTRRQXILMINAP-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H38OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14-16H,2,10-11,13,18H2,1,3-9H3/q-2/b20-15+.
What are the key properties of CID 135922762?
CID 135922762 has a molecular weight of 382.66 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135922762 is sourced from PubChem (CID 135922762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).