CID 175319844

C11H12O5Si — CID 175319844

IUPAC—
SMILESCCO[Si]OC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H12O5Si/c1-2-15-17-16-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
InChIKeyBXWKNLPEOKWZIW-GQCTYLIASA-N
MW252.30 g/mol
LogP1.22
Rot. Bonds5

About CID 175319844

CID 175319844 (PubChem CID 175319844) has the molecular formula C11H12O5Si and a molecular weight of 252.30 g/mol.

Molecular Properties

Compound NameCID 175319844
PubChem CID175319844
Molecular FormulaC11H12O5Si
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name—
SMILESCCO[Si]OC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H12O5Si/c1-2-15-17-16-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
InChIKeyBXWKNLPEOKWZIW-GQCTYLIASA-N
XLogP1.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
2-methoxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 138530546
decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71391747
hentriacontyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71375800
heptyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 12034742
tricosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 162975742
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
ethyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate
CID 162890361
phosphanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;tungsten
CID 58284204
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanedioic acid
CID 132917520

Frequently Asked Questions

What is the IUPAC name of CID 175319844?
The IUPAC name of CID 175319844 (CID 175319844) is not available.
What is the SMILES notation for CID 175319844?
The canonical SMILES for CID 175319844 is CCO[Si]OC(=O)/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of CID 175319844?
The InChIKey is BXWKNLPEOKWZIW-GQCTYLIASA-N. The full InChI is InChI=1S/C11H12O5Si/c1-2-15-17-16-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+.
What are the key properties of CID 175319844?
CID 175319844 has a molecular weight of 252.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175319844 is sourced from PubChem (CID 175319844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).