CID 90761188

C32H43NO6Si2 — CID 90761188

IUPAC—
SMILESCC(C)[Si](c1cccc(C(C(=O)O)C(C(=O)On2c(O)ccc2O)c2cccc([Si](C(C)C)C(C)C)c2)c1)C(C)C
InChIInChI=1S/C32H43NO6Si2/c1-19(2)40(20(3)4)25-13-9-11-23(17-25)29(31(36)37)30(32(38)39-33-27(34)15-16-28(33)35)24-12-10-14-26(18-24)41(21(5)6)22(7)8/h9-22,29-30,34-35H,1-8H3,(H,36,37)
InChIKeyCUNMPWCMBPHYRA-UHFFFAOYSA-N
MW593.87 g/mol
LogP5.55
Rot. Bonds12

About CID 90761188

CID 90761188 (PubChem CID 90761188) has the molecular formula C32H43NO6Si2 and a molecular weight of 593.87 g/mol.

Molecular Properties

Compound NameCID 90761188
PubChem CID90761188
Molecular FormulaC32H43NO6Si2
Molecular Weight593.87 g/mol
Exact Mass593.26
IUPAC Name—
SMILESCC(C)[Si](c1cccc(C(C(=O)O)C(C(=O)On2c(O)ccc2O)c2cccc([Si](C(C)C)C(C)C)c2)c1)C(C)C
InChIInChI=1S/C32H43NO6Si2/c1-19(2)40(20(3)4)25-13-9-11-23(17-25)29(31(36)37)30(32(38)39-33-27(34)15-16-28(33)35)24-12-10-14-26(18-24)41(21(5)6)22(7)8/h9-22,29-30,34-35H,1-8H3,(H,36,37)
InChIKeyCUNMPWCMBPHYRA-UHFFFAOYSA-N
XLogP5.55
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.87
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
CID 123604144
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90813928
(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate
CID 91162639
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
(2,5-dihydroxypyrrol-1-yl) (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 57250912
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
4-methyl-2,3-diphenylpentanoic acid
CID 13280236
tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028

Frequently Asked Questions

What is the IUPAC name of CID 90761188?
The IUPAC name of CID 90761188 (CID 90761188) is not available.
What is the SMILES notation for CID 90761188?
The canonical SMILES for CID 90761188 is CC(C)[Si](c1cccc(C(C(=O)O)C(C(=O)On2c(O)ccc2O)c2cccc([Si](C(C)C)C(C)C)c2)c1)C(C)C.
What is the InChIKey of CID 90761188?
The InChIKey is CUNMPWCMBPHYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO6Si2/c1-19(2)40(20(3)4)25-13-9-11-23(17-25)29(31(36)37)30(32(38)39-33-27(34)15-16-28(33)35)24-12-10-14-26(18-24)41(21(5)6)22(7)8/h9-22,29-30,34-35H,1-8H3,(H,36,37).
What are the key properties of CID 90761188?
CID 90761188 has a molecular weight of 593.87 g/mol, XLogP of 5.55, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90761188 is sourced from PubChem (CID 90761188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).