CID 135081556

C9H18K2OSi+ — CID 135081556

IUPAC—
SMILESC[Si](C)(C)[CH]/C=C/CCC[O-].[K+].[K+]
InChIInChI=1S/C9H18OSi.2K/c1-11(2,3)9-7-5-4-6-8-10;;/h5,7,9H,4,6,8H2,1-3H3;;/q-1;2*+1/b7-5+;;
InChIKeyNMMBXMKAKYJVNR-WVKUUHRJSA-N
MW248.52 g/mol
LogP-4.23
Rot. Bonds5

About CID 135081556

CID 135081556 (PubChem CID 135081556) has the molecular formula C9H18K2OSi+ and a molecular weight of 248.52 g/mol.

Molecular Properties

Compound NameCID 135081556
PubChem CID135081556
Molecular FormulaC9H18K2OSi+
Molecular Weight248.52 g/mol
Exact Mass248.04
IUPAC Name—
SMILESC[Si](C)(C)[CH]/C=C/CCC[O-].[K+].[K+]
InChIInChI=1S/C9H18OSi.2K/c1-11(2,3)9-7-5-4-6-8-10;;/h5,7,9H,4,6,8H2,1-3H3;;/q-1;2*+1/b7-5+;;
InChIKeyNMMBXMKAKYJVNR-WVKUUHRJSA-N
XLogP-4.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.52
LogP ≤ 5-4.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135081556?
The IUPAC name of CID 135081556 (CID 135081556) is not available.
What is the SMILES notation for CID 135081556?
The canonical SMILES for CID 135081556 is C[Si](C)(C)[CH]/C=C/CCC[O-].[K+].[K+].
What is the InChIKey of CID 135081556?
The InChIKey is NMMBXMKAKYJVNR-WVKUUHRJSA-N. The full InChI is InChI=1S/C9H18OSi.2K/c1-11(2,3)9-7-5-4-6-8-10;;/h5,7,9H,4,6,8H2,1-3H3;;/q-1;2*+1/b7-5+;;.
What are the key properties of CID 135081556?
CID 135081556 has a molecular weight of 248.52 g/mol, XLogP of -4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081556 is sourced from PubChem (CID 135081556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).