CID 174936567

C15H17O5PSi+ — CID 174936567

IUPAC—
SMILESCO[Si](OC)OC.O=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P.C3H9O3Si/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;1-4-7(5-2)6-3/h1-8H;1-3H3/q+1;
InChIKeyWXMNUMCTTLHEGR-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.24
Rot. Bonds3

About CID 174936567

CID 174936567 (PubChem CID 174936567) has the molecular formula C15H17O5PSi+ and a molecular weight of 336.36 g/mol.

Molecular Properties

Compound NameCID 174936567
PubChem CID174936567
Molecular FormulaC15H17O5PSi+
Molecular Weight336.36 g/mol
Exact Mass336.06
IUPAC Name—
SMILESCO[Si](OC)OC.O=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P.C3H9O3Si/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;1-4-7(5-2)6-3/h1-8H;1-3H3/q+1;
InChIKeyWXMNUMCTTLHEGR-UHFFFAOYSA-N
XLogP4.24
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;methyl prop-2-enoate
CID 162094709
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea
CID 174856455
8-propan-2-ylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 19595721
3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 172802278
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;hydroxy-[2-(2-hydroxyphenyl)phenyl]-oxophosphanium;hydrate
CID 158608663
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;1,1,2-trichloropropyl dihydrogen phosphate
CID 122698441
9-(1-phenylethyl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 139755111
2-(1-phenylethyl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595776
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 139755068
7-tert-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 141286509
4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595742

Frequently Asked Questions

What is the IUPAC name of CID 174936567?
The IUPAC name of CID 174936567 (CID 174936567) is not available.
What is the SMILES notation for CID 174936567?
The canonical SMILES for CID 174936567 is CO[Si](OC)OC.O=[p+]1oc2ccccc2c2ccccc21.
What is the InChIKey of CID 174936567?
The InChIKey is WXMNUMCTTLHEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2P.C3H9O3Si/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;1-4-7(5-2)6-3/h1-8H;1-3H3/q+1;.
What are the key properties of CID 174936567?
CID 174936567 has a molecular weight of 336.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174936567 is sourced from PubChem (CID 174936567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).