CID 168904100

C21H24OSi- — CID 168904100

IUPAC—
SMILESC[Si-](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3/q-1
InChIKeyKNKBHAYWOZNVCL-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.60
Rot. Bonds5

About CID 168904100

CID 168904100 (PubChem CID 168904100) has the molecular formula C21H24OSi- and a molecular weight of 320.51 g/mol.

Molecular Properties

Compound NameCID 168904100
PubChem CID168904100
Molecular FormulaC21H24OSi-
Molecular Weight320.51 g/mol
Exact Mass320.16
IUPAC Name—
SMILESC[Si-](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3/q-1
InChIKeyKNKBHAYWOZNVCL-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.60
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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Related Compounds

(1S,4R,5R)-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 100999801
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
CID 22983009
2-bicyclo[2.2.1]hept-5-enylmethoxy-ethyl-methyl-phenylsilane
CID 140775718
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 86080234
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
CID 22294495
CID 22294495
2-bicyclo[2.2.1]hept-5-enylmethyl 4-phenylbenzoate
CID 22237216
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
CID 16687358
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate
CID 126627659
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70640373

Frequently Asked Questions

What is the IUPAC name of CID 168904100?
The IUPAC name of CID 168904100 (CID 168904100) is not available.
What is the SMILES notation for CID 168904100?
The canonical SMILES for CID 168904100 is C[Si-](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 168904100?
The InChIKey is KNKBHAYWOZNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3/q-1.
What are the key properties of CID 168904100?
CID 168904100 has a molecular weight of 320.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168904100 is sourced from PubChem (CID 168904100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).