CID 46919532

C18H16Co2O7Si — CID 46919532

IUPAC—
SMILESC[Si](C)(C)/[C]=[C]/C(O)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H16OSi.6CO.2Co/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11;6*1-2;;/h4-8,12-13H,1-3H3;;;;;;;;
InChIKeyCDZAZRSBPHVOPN-UHFFFAOYSA-N
MW490.27 g/mol
LogP2.53
Rot. Bonds3

About CID 46919532

CID 46919532 (PubChem CID 46919532) has the molecular formula C18H16Co2O7Si and a molecular weight of 490.27 g/mol.

Molecular Properties

Compound NameCID 46919532
PubChem CID46919532
Molecular FormulaC18H16Co2O7Si
Molecular Weight490.27 g/mol
Exact Mass489.93
IUPAC Name—
SMILESC[Si](C)(C)/[C]=[C]/C(O)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H16OSi.6CO.2Co/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11;6*1-2;;/h4-8,12-13H,1-3H3;;;;;;;;
InChIKeyCDZAZRSBPHVOPN-UHFFFAOYSA-N
XLogP2.53
TPSA139.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
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1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
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Frequently Asked Questions

What is the IUPAC name of CID 46919532?
The IUPAC name of CID 46919532 (CID 46919532) is not available.
What is the SMILES notation for CID 46919532?
The canonical SMILES for CID 46919532 is C[Si](C)(C)/[C]=[C]/C(O)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of CID 46919532?
The InChIKey is CDZAZRSBPHVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi.6CO.2Co/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11;6*1-2;;/h4-8,12-13H,1-3H3;;;;;;;;.
What are the key properties of CID 46919532?
CID 46919532 has a molecular weight of 490.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46919532 is sourced from PubChem (CID 46919532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).