CID 67802216

C29H39O7Si — CID 67802216

IUPAC—
SMILESCCOc1cc([Si](C)C)c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C(C)(C)C)oc2c1OC(C)C
InChIInChI=1S/C29H39O7Si/c1-12-34-20-15-21(37(10)11)22-23(28(29(4,5)6)36-27(22)26(20)35-16(2)3)24(30)17-13-18(31-7)25(33-9)19(14-17)32-8/h13-16H,12H2,1-11H3
InChIKeyQIAAYJHFOBZTAY-UHFFFAOYSA-N
MW527.71 g/mol
LogP6.13
Rot. Bonds10

About CID 67802216

CID 67802216 (PubChem CID 67802216) has the molecular formula C29H39O7Si and a molecular weight of 527.71 g/mol.

Molecular Properties

Compound NameCID 67802216
PubChem CID67802216
Molecular FormulaC29H39O7Si
Molecular Weight527.71 g/mol
Exact Mass527.25
IUPAC Name—
SMILESCCOc1cc([Si](C)C)c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C(C)(C)C)oc2c1OC(C)C
InChIInChI=1S/C29H39O7Si/c1-12-34-20-15-21(37(10)11)22-23(28(29(4,5)6)36-27(22)26(20)35-16(2)3)24(30)17-13-18(31-7)25(33-9)19(14-17)32-8/h13-16H,12H2,1-11H3
InChIKeyQIAAYJHFOBZTAY-UHFFFAOYSA-N
XLogP6.13
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67802216?
The IUPAC name of CID 67802216 (CID 67802216) is not available.
What is the SMILES notation for CID 67802216?
The canonical SMILES for CID 67802216 is CCOc1cc([Si](C)C)c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C(C)(C)C)oc2c1OC(C)C.
What is the InChIKey of CID 67802216?
The InChIKey is QIAAYJHFOBZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39O7Si/c1-12-34-20-15-21(37(10)11)22-23(28(29(4,5)6)36-27(22)26(20)35-16(2)3)24(30)17-13-18(31-7)25(33-9)19(14-17)32-8/h13-16H,12H2,1-11H3.
What are the key properties of CID 67802216?
CID 67802216 has a molecular weight of 527.71 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67802216 is sourced from PubChem (CID 67802216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).