CID 88794597

C25H39O3Si — CID 88794597

IUPAC—
SMILESC[Si](C)OC[C@]12CC[C@H]3[C@@H](CC=C4CC(C(C)(C)C)CC[C@@]43C=O)[C@@H]1CCC2=O
InChIInChI=1S/C25H39O3Si/c1-23(2,3)17-10-12-24(15-26)18(14-17)6-7-19-20-8-9-22(27)25(20,13-11-21(19)24)16-28-29(4)5/h6,15,17,19-21H,7-14,16H2,1-5H3/t17?,19-,20-,21-,24+,25+/m0/s1
InChIKeyHULKQFCZNIIEPP-KUTMLDMHSA-N
MW415.67 g/mol
LogP5.61
Rot. Bonds4

About CID 88794597

CID 88794597 (PubChem CID 88794597) has the molecular formula C25H39O3Si and a molecular weight of 415.67 g/mol.

Molecular Properties

Compound NameCID 88794597
PubChem CID88794597
Molecular FormulaC25H39O3Si
Molecular Weight415.67 g/mol
Exact Mass415.27
IUPAC Name—
SMILESC[Si](C)OC[C@]12CC[C@H]3[C@@H](CC=C4CC(C(C)(C)C)CC[C@@]43C=O)[C@@H]1CCC2=O
InChIInChI=1S/C25H39O3Si/c1-23(2,3)17-10-12-24(15-26)18(14-17)6-7-19-20-8-9-22(27)25(20,13-11-21(19)24)16-28-29(4)5/h6,15,17,19-21H,7-14,16H2,1-5H3/t17?,19-,20-,21-,24+,25+/m0/s1
InChIKeyHULKQFCZNIIEPP-KUTMLDMHSA-N
XLogP5.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88794597?
The IUPAC name of CID 88794597 (CID 88794597) is not available.
What is the SMILES notation for CID 88794597?
The canonical SMILES for CID 88794597 is C[Si](C)OC[C@]12CC[C@H]3[C@@H](CC=C4CC(C(C)(C)C)CC[C@@]43C=O)[C@@H]1CCC2=O.
What is the InChIKey of CID 88794597?
The InChIKey is HULKQFCZNIIEPP-KUTMLDMHSA-N. The full InChI is InChI=1S/C25H39O3Si/c1-23(2,3)17-10-12-24(15-26)18(14-17)6-7-19-20-8-9-22(27)25(20,13-11-21(19)24)16-28-29(4)5/h6,15,17,19-21H,7-14,16H2,1-5H3/t17?,19-,20-,21-,24+,25+/m0/s1.
What are the key properties of CID 88794597?
CID 88794597 has a molecular weight of 415.67 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88794597 is sourced from PubChem (CID 88794597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).