CID 66834618

C32H40NO7Si — CID 66834618

IUPAC—
SMILESC[Si](C)OC(C1OC(C)(C)OC1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C
InChIInChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)
InChIKeyKPMJSONJSLPFNT-UHFFFAOYSA-N
MW578.76 g/mol
LogP6.32
Rot. Bonds7

About CID 66834618

CID 66834618 (PubChem CID 66834618) has the molecular formula C32H40NO7Si and a molecular weight of 578.76 g/mol.

Molecular Properties

Compound NameCID 66834618
PubChem CID66834618
Molecular FormulaC32H40NO7Si
Molecular Weight578.76 g/mol
Exact Mass578.26
IUPAC Name—
SMILESC[Si](C)OC(C1OC(C)(C)OC1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C
InChIInChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)
InChIKeyKPMJSONJSLPFNT-UHFFFAOYSA-N
XLogP6.32
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 66834618?
The IUPAC name of CID 66834618 (CID 66834618) is not available.
What is the SMILES notation for CID 66834618?
The canonical SMILES for CID 66834618 is C[Si](C)OC(C1OC(C)(C)OC1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C.
What is the InChIKey of CID 66834618?
The InChIKey is KPMJSONJSLPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36).
What are the key properties of CID 66834618?
CID 66834618 has a molecular weight of 578.76 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66834618 is sourced from PubChem (CID 66834618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).