CID 19601842

C8H13O3Si- — CID 19601842

IUPAC—
SMILESC1CC[Si]OC1.C=C(C)C(=O)[O-]
InChIInChI=1S/C4H6O2.C4H8OSi/c1-3(2)4(5)6;1-2-4-6-5-3-1/h1H2,2H3,(H,5,6);1-4H2/p-1
InChIKeySDBLZLQOMWGVRK-UHFFFAOYSA-M
MW185.27 g/mol
LogP0.15
Rot. Bonds1

About CID 19601842

CID 19601842 (PubChem CID 19601842) has the molecular formula C8H13O3Si- and a molecular weight of 185.27 g/mol.

Molecular Properties

Compound NameCID 19601842
PubChem CID19601842
Molecular FormulaC8H13O3Si-
Molecular Weight185.27 g/mol
Exact Mass185.06
IUPAC Name—
SMILESC1CC[Si]OC1.C=C(C)C(=O)[O-]
InChIInChI=1S/C4H6O2.C4H8OSi/c1-3(2)4(5)6;1-2-4-6-5-3-1/h1H2,2H3,(H,5,6);1-4H2/p-1
InChIKeySDBLZLQOMWGVRK-UHFFFAOYSA-M
XLogP0.15
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175299700
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CID 23688925
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chromium(3+);2-methylprop-2-enoate;chloride
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Frequently Asked Questions

What is the IUPAC name of CID 19601842?
The IUPAC name of CID 19601842 (CID 19601842) is not available.
What is the SMILES notation for CID 19601842?
The canonical SMILES for CID 19601842 is C1CC[Si]OC1.C=C(C)C(=O)[O-].
What is the InChIKey of CID 19601842?
The InChIKey is SDBLZLQOMWGVRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C4H8OSi/c1-3(2)4(5)6;1-2-4-6-5-3-1/h1H2,2H3,(H,5,6);1-4H2/p-1.
What are the key properties of CID 19601842?
CID 19601842 has a molecular weight of 185.27 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19601842 is sourced from PubChem (CID 19601842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).