CID 70366662

C22H27O6Si — CID 70366662

IUPAC—
SMILESCCOC(C[Si])C(OCC)(OCC)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C22H27O6Si/c1-4-25-20(15-29)22(26-5-2,27-6-3)28-17-12-13-18(19(23)14-17)21(24)16-10-8-7-9-11-16/h7-14,20,23H,4-6,15H2,1-3H3
InChIKeyLHRNUHHXZZGMJA-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.72
Rot. Bonds12

About CID 70366662

CID 70366662 (PubChem CID 70366662) has the molecular formula C22H27O6Si and a molecular weight of 415.54 g/mol.

Molecular Properties

Compound NameCID 70366662
PubChem CID70366662
Molecular FormulaC22H27O6Si
Molecular Weight415.54 g/mol
Exact Mass415.16
IUPAC Name—
SMILESCCOC(C[Si])C(OCC)(OCC)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C22H27O6Si/c1-4-25-20(15-29)22(26-5-2,27-6-3)28-17-12-13-18(19(23)14-17)21(24)16-10-8-7-9-11-16/h7-14,20,23H,4-6,15H2,1-3H3
InChIKeyLHRNUHHXZZGMJA-UHFFFAOYSA-N
XLogP3.72
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-(4-benzoyl-3-hydroxyphenoxy)-2-sulfanylbutanoic acid
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(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
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ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
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(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(4-benzoyl-3-hydroxyphenyl) propaneperoxoate
CID 174643093
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353

Frequently Asked Questions

What is the IUPAC name of CID 70366662?
The IUPAC name of CID 70366662 (CID 70366662) is not available.
What is the SMILES notation for CID 70366662?
The canonical SMILES for CID 70366662 is CCOC(C[Si])C(OCC)(OCC)Oc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of CID 70366662?
The InChIKey is LHRNUHHXZZGMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27O6Si/c1-4-25-20(15-29)22(26-5-2,27-6-3)28-17-12-13-18(19(23)14-17)21(24)16-10-8-7-9-11-16/h7-14,20,23H,4-6,15H2,1-3H3.
What are the key properties of CID 70366662?
CID 70366662 has a molecular weight of 415.54 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70366662 is sourced from PubChem (CID 70366662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).