CID 23064698

C8H14O4Si- — CID 23064698

IUPAC—
SMILESCCC/C=C(\C(=O)[O-])[Si](OC)OC
InChIInChI=1S/C8H15O4Si/c1-4-5-6-7(8(9)10)13(11-2)12-3/h6H,4-5H2,1-3H3,(H,9,10)/p-1/b7-6+
InChIKeyIXFWLOHSEBHPDU-VOTSOKGWSA-M
MW202.28 g/mol
LogP-0.22
Rot. Bonds6

About CID 23064698

CID 23064698 (PubChem CID 23064698) has the molecular formula C8H14O4Si- and a molecular weight of 202.28 g/mol.

Molecular Properties

Compound NameCID 23064698
PubChem CID23064698
Molecular FormulaC8H14O4Si-
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name—
SMILESCCC/C=C(\C(=O)[O-])[Si](OC)OC
InChIInChI=1S/C8H15O4Si/c1-4-5-6-7(8(9)10)13(11-2)12-3/h6H,4-5H2,1-3H3,(H,9,10)/p-1/b7-6+
InChIKeyIXFWLOHSEBHPDU-VOTSOKGWSA-M
XLogP-0.22
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23064698?
The IUPAC name of CID 23064698 (CID 23064698) is not available.
What is the SMILES notation for CID 23064698?
The canonical SMILES for CID 23064698 is CCC/C=C(\C(=O)[O-])[Si](OC)OC.
What is the InChIKey of CID 23064698?
The InChIKey is IXFWLOHSEBHPDU-VOTSOKGWSA-M. The full InChI is InChI=1S/C8H15O4Si/c1-4-5-6-7(8(9)10)13(11-2)12-3/h6H,4-5H2,1-3H3,(H,9,10)/p-1/b7-6+.
What are the key properties of CID 23064698?
CID 23064698 has a molecular weight of 202.28 g/mol, XLogP of -0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23064698 is sourced from PubChem (CID 23064698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).