CID 136748388

C32H47NOSi2 — CID 136748388

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](C[Si]c2ccccc2)/C(=C\C2CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C32H47NOSi2/c1-32(2,3)36(4,5)34-24-31-30(25-35-29-19-13-8-14-20-29)28(21-26-15-9-6-10-16-26)23-33(31)22-27-17-11-7-12-18-27/h7-8,11-14,17-21,26,30-31H,6,9-10,15-16,22-25H2,1-5H3/b28-21-/t30-,31+/m1/s1
InChIKeyHSDVHKPPCNNPPL-JJQRXZEXSA-N
MW517.91 g/mol
LogP7.46
Rot. Bonds9

About CID 136748388

CID 136748388 (PubChem CID 136748388) has the molecular formula C32H47NOSi2 and a molecular weight of 517.91 g/mol.

Molecular Properties

Compound NameCID 136748388
PubChem CID136748388
Molecular FormulaC32H47NOSi2
Molecular Weight517.91 g/mol
Exact Mass517.32
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](C[Si]c2ccccc2)/C(=C\C2CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C32H47NOSi2/c1-32(2,3)36(4,5)34-24-31-30(25-35-29-19-13-8-14-20-29)28(21-26-15-9-6-10-16-26)23-33(31)22-27-17-11-7-12-18-27/h7-8,11-14,17-21,26,30-31H,6,9-10,15-16,22-25H2,1-5H3/b28-21-/t30-,31+/m1/s1
InChIKeyHSDVHKPPCNNPPL-JJQRXZEXSA-N
XLogP7.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.91
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 136748388?
The IUPAC name of CID 136748388 (CID 136748388) is not available.
What is the SMILES notation for CID 136748388?
The canonical SMILES for CID 136748388 is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](C[Si]c2ccccc2)/C(=C\C2CCCCC2)CN1Cc1ccccc1.
What is the InChIKey of CID 136748388?
The InChIKey is HSDVHKPPCNNPPL-JJQRXZEXSA-N. The full InChI is InChI=1S/C32H47NOSi2/c1-32(2,3)36(4,5)34-24-31-30(25-35-29-19-13-8-14-20-29)28(21-26-15-9-6-10-16-26)23-33(31)22-27-17-11-7-12-18-27/h7-8,11-14,17-21,26,30-31H,6,9-10,15-16,22-25H2,1-5H3/b28-21-/t30-,31+/m1/s1.
What are the key properties of CID 136748388?
CID 136748388 has a molecular weight of 517.91 g/mol, XLogP of 7.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136748388 is sourced from PubChem (CID 136748388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).