CID 134902564

C26H31OSiY- — CID 134902564

IUPAC—
SMILES[CH2-][Si](C)(C)C.[CH]1[CH][C](CCOCC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Y]
InChIInChI=1S/C22H20O.C4H11Si.Y/c1-3-7-21-17(5-1)9-11-19(21)13-15-23-16-14-20-12-10-18-6-2-4-8-22(18)20;1-5(2,3)4;/h1-12H,13-16H2;1H2,2-4H3;/q;-1;
InChIKeyFYKWSCJZWNRSKJ-UHFFFAOYSA-N
MW476.53 g/mol
LogP6.02
Rot. Bonds6

About CID 134902564

CID 134902564 (PubChem CID 134902564) has the molecular formula C26H31OSiY- and a molecular weight of 476.53 g/mol.

Molecular Properties

Compound NameCID 134902564
PubChem CID134902564
Molecular FormulaC26H31OSiY-
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC Name—
SMILES[CH2-][Si](C)(C)C.[CH]1[CH][C](CCOCC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Y]
InChIInChI=1S/C22H20O.C4H11Si.Y/c1-3-7-21-17(5-1)9-11-19(21)13-15-23-16-14-20-12-10-18-6-2-4-8-22(18)20;1-5(2,3)4;/h1-12H,13-16H2;1H2,2-4H3;/q;-1;
InChIKeyFYKWSCJZWNRSKJ-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134902564?
The IUPAC name of CID 134902564 (CID 134902564) is not available.
What is the SMILES notation for CID 134902564?
The canonical SMILES for CID 134902564 is [CH2-][Si](C)(C)C.[CH]1[CH][C](CCOCC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Y].
What is the InChIKey of CID 134902564?
The InChIKey is FYKWSCJZWNRSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O.C4H11Si.Y/c1-3-7-21-17(5-1)9-11-19(21)13-15-23-16-14-20-12-10-18-6-2-4-8-22(18)20;1-5(2,3)4;/h1-12H,13-16H2;1H2,2-4H3;/q;-1;.
What are the key properties of CID 134902564?
CID 134902564 has a molecular weight of 476.53 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902564 is sourced from PubChem (CID 134902564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).