CID 23253827

C25H42O4Si — CID 23253827

IUPAC—
SMILESCOC(=O)[C@@H]1CCC[C@@H]2CC3(CC[C@]2(C)[C@@]12CC=C(C[Si](C)(C)C)CC2)OCCO3
InChIInChI=1S/C25H42O4Si/c1-23-13-14-25(28-15-16-29-25)17-20(23)7-6-8-21(22(26)27-2)24(23)11-9-19(10-12-24)18-30(3,4)5/h9,20-21H,6-8,10-18H2,1-5H3/t20-,21+,23+,24-/m1/s1
InChIKeyWOLVNYJHDCIWOM-AWAHEQQVSA-N
MW434.69 g/mol
LogP5.94
Rot. Bonds3

About CID 23253827

CID 23253827 (PubChem CID 23253827) has the molecular formula C25H42O4Si and a molecular weight of 434.69 g/mol.

Molecular Properties

Compound NameCID 23253827
PubChem CID23253827
Molecular FormulaC25H42O4Si
Molecular Weight434.69 g/mol
Exact Mass434.29
IUPAC Name—
SMILESCOC(=O)[C@@H]1CCC[C@@H]2CC3(CC[C@]2(C)[C@@]12CC=C(C[Si](C)(C)C)CC2)OCCO3
InChIInChI=1S/C25H42O4Si/c1-23-13-14-25(28-15-16-29-25)17-20(23)7-6-8-21(22(26)27-2)24(23)11-9-19(10-12-24)18-30(3,4)5/h9,20-21H,6-8,10-18H2,1-5H3/t20-,21+,23+,24-/m1/s1
InChIKeyWOLVNYJHDCIWOM-AWAHEQQVSA-N
XLogP5.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.69
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 23253827?
The IUPAC name of CID 23253827 (CID 23253827) is not available.
What is the SMILES notation for CID 23253827?
The canonical SMILES for CID 23253827 is COC(=O)[C@@H]1CCC[C@@H]2CC3(CC[C@]2(C)[C@@]12CC=C(C[Si](C)(C)C)CC2)OCCO3.
What is the InChIKey of CID 23253827?
The InChIKey is WOLVNYJHDCIWOM-AWAHEQQVSA-N. The full InChI is InChI=1S/C25H42O4Si/c1-23-13-14-25(28-15-16-29-25)17-20(23)7-6-8-21(22(26)27-2)24(23)11-9-19(10-12-24)18-30(3,4)5/h9,20-21H,6-8,10-18H2,1-5H3/t20-,21+,23+,24-/m1/s1.
What are the key properties of CID 23253827?
CID 23253827 has a molecular weight of 434.69 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23253827 is sourced from PubChem (CID 23253827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).