CID 19971957

C28H34O2Si — CID 19971957

IUPAC—
SMILESCC(C)(C)c1cc(OC[Si]C(c2ccccc2)c2ccccc2)c(C(C)(C)C)cc1O
InChIInChI=1S/C28H34O2Si/c1-27(2,3)22-18-25(23(17-24(22)29)28(4,5)6)30-19-31-26(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-18,26,29H,19H2,1-6H3
InChIKeyKCEHLBNJCVQOOQ-UHFFFAOYSA-N
MW430.66 g/mol
LogP6.82
Rot. Bonds6

About CID 19971957

CID 19971957 (PubChem CID 19971957) has the molecular formula C28H34O2Si and a molecular weight of 430.66 g/mol.

Molecular Properties

Compound NameCID 19971957
PubChem CID19971957
Molecular FormulaC28H34O2Si
Molecular Weight430.66 g/mol
Exact Mass430.23
IUPAC Name—
SMILESCC(C)(C)c1cc(OC[Si]C(c2ccccc2)c2ccccc2)c(C(C)(C)C)cc1O
InChIInChI=1S/C28H34O2Si/c1-27(2,3)22-18-25(23(17-24(22)29)28(4,5)6)30-19-31-26(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-18,26,29H,19H2,1-6H3
InChIKeyKCEHLBNJCVQOOQ-UHFFFAOYSA-N
XLogP6.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23498043
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Frequently Asked Questions

What is the IUPAC name of CID 19971957?
The IUPAC name of CID 19971957 (CID 19971957) is not available.
What is the SMILES notation for CID 19971957?
The canonical SMILES for CID 19971957 is CC(C)(C)c1cc(OC[Si]C(c2ccccc2)c2ccccc2)c(C(C)(C)C)cc1O.
What is the InChIKey of CID 19971957?
The InChIKey is KCEHLBNJCVQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2Si/c1-27(2,3)22-18-25(23(17-24(22)29)28(4,5)6)30-19-31-26(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-18,26,29H,19H2,1-6H3.
What are the key properties of CID 19971957?
CID 19971957 has a molecular weight of 430.66 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19971957 is sourced from PubChem (CID 19971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).