CID 136784462

C33H46O3Si2 — CID 136784462

IUPAC—
SMILESCC[Si](CC)C1=C2CC(COCc3ccccc3)(COCc3ccccc3)CC2=C([Si](CC)CC)C1(C)O
InChIInChI=1S/C33H46O3Si2/c1-6-37(7-2)30-28-20-33(24-35-22-26-16-12-10-13-17-26,25-36-23-27-18-14-11-15-19-27)21-29(28)31(32(30,5)34)38(8-3)9-4/h10-19,34H,6-9,20-25H2,1-5H3
InChIKeyVPCZUQSSXXIXLU-UHFFFAOYSA-N
MW546.90 g/mol
LogP7.71
Rot. Bonds14

About CID 136784462

CID 136784462 (PubChem CID 136784462) has the molecular formula C33H46O3Si2 and a molecular weight of 546.90 g/mol.

Molecular Properties

Compound NameCID 136784462
PubChem CID136784462
Molecular FormulaC33H46O3Si2
Molecular Weight546.90 g/mol
Exact Mass546.30
IUPAC Name—
SMILESCC[Si](CC)C1=C2CC(COCc3ccccc3)(COCc3ccccc3)CC2=C([Si](CC)CC)C1(C)O
InChIInChI=1S/C33H46O3Si2/c1-6-37(7-2)30-28-20-33(24-35-22-26-16-12-10-13-17-26,25-36-23-27-18-14-11-15-19-27)21-29(28)31(32(30,5)34)38(8-3)9-4/h10-19,34H,6-9,20-25H2,1-5H3
InChIKeyVPCZUQSSXXIXLU-UHFFFAOYSA-N
XLogP7.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.90
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,3-bis(phenylmethoxymethyl)azetidine
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CID 159973315
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
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[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
CID 164670270
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
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CID 102940561

Frequently Asked Questions

What is the IUPAC name of CID 136784462?
The IUPAC name of CID 136784462 (CID 136784462) is not available.
What is the SMILES notation for CID 136784462?
The canonical SMILES for CID 136784462 is CC[Si](CC)C1=C2CC(COCc3ccccc3)(COCc3ccccc3)CC2=C([Si](CC)CC)C1(C)O.
What is the InChIKey of CID 136784462?
The InChIKey is VPCZUQSSXXIXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46O3Si2/c1-6-37(7-2)30-28-20-33(24-35-22-26-16-12-10-13-17-26,25-36-23-27-18-14-11-15-19-27)21-29(28)31(32(30,5)34)38(8-3)9-4/h10-19,34H,6-9,20-25H2,1-5H3.
What are the key properties of CID 136784462?
CID 136784462 has a molecular weight of 546.90 g/mol, XLogP of 7.71, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136784462 is sourced from PubChem (CID 136784462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).