CID 59884488

C7H9O3SiY- — CID 59884488

IUPAC—
SMILESC=C(/C=C(/[C-]=O)OC)O[Si]C.[Y]
InChIInChI=1S/C7H9O3Si.Y/c1-6(10-11-3)4-7(5-8)9-2;/h4H,1H2,2-3H3;/q-1;/b7-4-;
InChIKeyZRGXJKPTHLIYKS-ZULQGGHCSA-N
MW258.14 g/mol
LogP0.82
Rot. Bonds5

About CID 59884488

CID 59884488 (PubChem CID 59884488) has the molecular formula C7H9O3SiY- and a molecular weight of 258.14 g/mol.

Molecular Properties

Compound NameCID 59884488
PubChem CID59884488
Molecular FormulaC7H9O3SiY-
Molecular Weight258.14 g/mol
Exact Mass257.94
IUPAC Name—
SMILESC=C(/C=C(/[C-]=O)OC)O[Si]C.[Y]
InChIInChI=1S/C7H9O3Si.Y/c1-6(10-11-3)4-7(5-8)9-2;/h4H,1H2,2-3H3;/q-1;/b7-4-;
InChIKeyZRGXJKPTHLIYKS-ZULQGGHCSA-N
XLogP0.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-4-methoxypenta-2,4-dien-1-one;yttrium
CID 59884469
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
2,4-dimethoxypenta-1,3-diene
CID 90861204
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138
3-oxoprop-1-en-2-ylazanide;bis(yttrium)
CID 154662182
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
chloroform;methyl prop-2-enoate
CID 123529405
ethenoxyethene;methyl prop-2-enoate
CID 159119515
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701
2-methylidenebutane-1,3-dione;bis(yttrium)
CID 59648874

Frequently Asked Questions

What is the IUPAC name of CID 59884488?
The IUPAC name of CID 59884488 (CID 59884488) is not available.
What is the SMILES notation for CID 59884488?
The canonical SMILES for CID 59884488 is C=C(/C=C(/[C-]=O)OC)O[Si]C.[Y].
What is the InChIKey of CID 59884488?
The InChIKey is ZRGXJKPTHLIYKS-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H9O3Si.Y/c1-6(10-11-3)4-7(5-8)9-2;/h4H,1H2,2-3H3;/q-1;/b7-4-;.
What are the key properties of CID 59884488?
CID 59884488 has a molecular weight of 258.14 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59884488 is sourced from PubChem (CID 59884488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).