CID 87220335

C17H25O3Si — CID 87220335

IUPAC—
SMILESCOc1c(C=O)c(C(C)C)c(C(C)C)c(O[Si])c1C(C)C
InChIInChI=1S/C17H25O3Si/c1-9(2)13-12(8-18)16(19-7)15(11(5)6)17(20-21)14(13)10(3)4/h8-11H,1-7H3
InChIKeyABTIKQNWRNLSAJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.34
Rot. Bonds6

About CID 87220335

CID 87220335 (PubChem CID 87220335) has the molecular formula C17H25O3Si and a molecular weight of 305.47 g/mol.

Molecular Properties

Compound NameCID 87220335
PubChem CID87220335
Molecular FormulaC17H25O3Si
Molecular Weight305.47 g/mol
Exact Mass305.16
IUPAC Name—
SMILESCOc1c(C=O)c(C(C)C)c(C(C)C)c(O[Si])c1C(C)C
InChIInChI=1S/C17H25O3Si/c1-9(2)13-12(8-18)16(19-7)15(11(5)6)17(20-21)14(13)10(3)4/h8-11H,1-7H3
InChIKeyABTIKQNWRNLSAJ-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.34
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 87220335?
The IUPAC name of CID 87220335 (CID 87220335) is not available.
What is the SMILES notation for CID 87220335?
The canonical SMILES for CID 87220335 is COc1c(C=O)c(C(C)C)c(C(C)C)c(O[Si])c1C(C)C.
What is the InChIKey of CID 87220335?
The InChIKey is ABTIKQNWRNLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O3Si/c1-9(2)13-12(8-18)16(19-7)15(11(5)6)17(20-21)14(13)10(3)4/h8-11H,1-7H3.
What are the key properties of CID 87220335?
CID 87220335 has a molecular weight of 305.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87220335 is sourced from PubChem (CID 87220335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).