CID 70306336

C22H32NSi — CID 70306336

IUPAC—
SMILESCC1=C(C)C(C)C([Si](NC2CCCCC2)c2ccccc2C)=C1C
InChIInChI=1S/C22H32NSi/c1-15-11-9-10-14-21(15)24(23-20-12-7-6-8-13-20)22-18(4)16(2)17(3)19(22)5/h9-11,14,18,20,23H,6-8,12-13H2,1-5H3
InChIKeyRIUHWWRSCWNVKP-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.96
Rot. Bonds4

About CID 70306336

CID 70306336 (PubChem CID 70306336) has the molecular formula C22H32NSi and a molecular weight of 338.59 g/mol.

Molecular Properties

Compound NameCID 70306336
PubChem CID70306336
Molecular FormulaC22H32NSi
Molecular Weight338.59 g/mol
Exact Mass338.23
IUPAC Name—
SMILESCC1=C(C)C(C)C([Si](NC2CCCCC2)c2ccccc2C)=C1C
InChIInChI=1S/C22H32NSi/c1-15-11-9-10-14-21(15)24(23-20-12-7-6-8-13-20)22-18(4)16(2)17(3)19(22)5/h9-11,14,18,20,23H,6-8,12-13H2,1-5H3
InChIKeyRIUHWWRSCWNVKP-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
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Frequently Asked Questions

What is the IUPAC name of CID 70306336?
The IUPAC name of CID 70306336 (CID 70306336) is not available.
What is the SMILES notation for CID 70306336?
The canonical SMILES for CID 70306336 is CC1=C(C)C(C)C([Si](NC2CCCCC2)c2ccccc2C)=C1C.
What is the InChIKey of CID 70306336?
The InChIKey is RIUHWWRSCWNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NSi/c1-15-11-9-10-14-21(15)24(23-20-12-7-6-8-13-20)22-18(4)16(2)17(3)19(22)5/h9-11,14,18,20,23H,6-8,12-13H2,1-5H3.
What are the key properties of CID 70306336?
CID 70306336 has a molecular weight of 338.59 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70306336 is sourced from PubChem (CID 70306336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).