CID 136748390

C23H34NSi — CID 136748390

IUPAC—
SMILESC[Si](C[C@H]1/C(=C/C2CCCCC2)CCN2CCC[C@H]12)c1ccccc1
InChIInChI=1S/C23H34NSi/c1-25(21-11-6-3-7-12-21)18-22-20(17-19-9-4-2-5-10-19)14-16-24-15-8-13-23(22)24/h3,6-7,11-12,17,19,22-23H,2,4-5,8-10,13-16,18H2,1H3/b20-17+/t22-,23+/m0/s1
InChIKeyGVCOOADXKCUQNW-XFFGBMGSSA-N
MW352.62 g/mol
LogP5.01
Rot. Bonds4

About CID 136748390

CID 136748390 (PubChem CID 136748390) has the molecular formula C23H34NSi and a molecular weight of 352.62 g/mol.

Molecular Properties

Compound NameCID 136748390
PubChem CID136748390
Molecular FormulaC23H34NSi
Molecular Weight352.62 g/mol
Exact Mass352.25
IUPAC Name—
SMILESC[Si](C[C@H]1/C(=C/C2CCCCC2)CCN2CCC[C@H]12)c1ccccc1
InChIInChI=1S/C23H34NSi/c1-25(21-11-6-3-7-12-21)18-22-20(17-19-9-4-2-5-10-19)14-16-24-15-8-13-23(22)24/h3,6-7,11-12,17,19,22-23H,2,4-5,8-10,13-16,18H2,1H3/b20-17+/t22-,23+/m0/s1
InChIKeyGVCOOADXKCUQNW-XFFGBMGSSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.62
LogP ≤ 55.01
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 136748390?
The IUPAC name of CID 136748390 (CID 136748390) is not available.
What is the SMILES notation for CID 136748390?
The canonical SMILES for CID 136748390 is C[Si](C[C@H]1/C(=C/C2CCCCC2)CCN2CCC[C@H]12)c1ccccc1.
What is the InChIKey of CID 136748390?
The InChIKey is GVCOOADXKCUQNW-XFFGBMGSSA-N. The full InChI is InChI=1S/C23H34NSi/c1-25(21-11-6-3-7-12-21)18-22-20(17-19-9-4-2-5-10-19)14-16-24-15-8-13-23(22)24/h3,6-7,11-12,17,19,22-23H,2,4-5,8-10,13-16,18H2,1H3/b20-17+/t22-,23+/m0/s1.
What are the key properties of CID 136748390?
CID 136748390 has a molecular weight of 352.62 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136748390 is sourced from PubChem (CID 136748390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).