CID 171535342

C17H20ClO4Si — CID 171535342

IUPAC—
SMILESC=CC(=O)OC(c1ccccc1)C(OC(=O)C=C)C(Cl)[Si](C)C
InChIInChI=1S/C17H20ClO4Si/c1-5-13(19)21-15(12-10-8-7-9-11-12)16(17(18)23(3)4)22-14(20)6-2/h5-11,15-17H,1-2H2,3-4H3
InChIKeyKQDYNANJXASYDI-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.46
Rot. Bonds8

About CID 171535342

CID 171535342 (PubChem CID 171535342) has the molecular formula C17H20ClO4Si and a molecular weight of 351.88 g/mol.

Molecular Properties

Compound NameCID 171535342
PubChem CID171535342
Molecular FormulaC17H20ClO4Si
Molecular Weight351.88 g/mol
Exact Mass351.08
IUPAC Name—
SMILESC=CC(=O)OC(c1ccccc1)C(OC(=O)C=C)C(Cl)[Si](C)C
InChIInChI=1S/C17H20ClO4Si/c1-5-13(19)21-15(12-10-8-7-9-11-12)16(17(18)23(3)4)22-14(20)6-2/h5-11,15-17H,1-2H2,3-4H3
InChIKeyKQDYNANJXASYDI-UHFFFAOYSA-N
XLogP3.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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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(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
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chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
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[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate
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CID 15642603
1-phenylpropyl prop-2-enoate;sulfuric acid
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(1-chloro-3-phenylpropyl) prop-2-enoate
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(2-ethenoxy-1-phenylethyl) prop-2-enoate
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[(1S,2R,3R)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 171535342?
The IUPAC name of CID 171535342 (CID 171535342) is not available.
What is the SMILES notation for CID 171535342?
The canonical SMILES for CID 171535342 is C=CC(=O)OC(c1ccccc1)C(OC(=O)C=C)C(Cl)[Si](C)C.
What is the InChIKey of CID 171535342?
The InChIKey is KQDYNANJXASYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClO4Si/c1-5-13(19)21-15(12-10-8-7-9-11-12)16(17(18)23(3)4)22-14(20)6-2/h5-11,15-17H,1-2H2,3-4H3.
What are the key properties of CID 171535342?
CID 171535342 has a molecular weight of 351.88 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171535342 is sourced from PubChem (CID 171535342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).