CID 68622767

C16H19O5Si — CID 68622767

IUPAC—
SMILESC=CCc1ccc(OC(=O)OC2([Si])CCCCO2)c(OC)c1
InChIInChI=1S/C16H19O5Si/c1-3-6-12-7-8-13(14(11-12)18-2)20-15(17)21-16(22)9-4-5-10-19-16/h3,7-8,11H,1,4-6,9-10H2,2H3
InChIKeyHSCHZZAKUDZTQA-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.96
Rot. Bonds5

About CID 68622767

CID 68622767 (PubChem CID 68622767) has the molecular formula C16H19O5Si and a molecular weight of 319.41 g/mol.

Molecular Properties

Compound NameCID 68622767
PubChem CID68622767
Molecular FormulaC16H19O5Si
Molecular Weight319.41 g/mol
Exact Mass319.10
IUPAC Name—
SMILESC=CCc1ccc(OC(=O)OC2([Si])CCCCO2)c(OC)c1
InChIInChI=1S/C16H19O5Si/c1-3-6-12-7-8-13(14(11-12)18-2)20-15(17)21-16(22)9-4-5-10-19-16/h3,7-8,11H,1,4-6,9-10H2,2H3
InChIKeyHSCHZZAKUDZTQA-UHFFFAOYSA-N
XLogP2.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
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chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
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[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 54499309
(2-methoxy-4-prop-2-enylphenyl) adamantane-1-carboxylate
CID 4916755
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
CID 70184133
CID 70184133
(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate
CID 142526411
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 95352235
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977

Frequently Asked Questions

What is the IUPAC name of CID 68622767?
The IUPAC name of CID 68622767 (CID 68622767) is not available.
What is the SMILES notation for CID 68622767?
The canonical SMILES for CID 68622767 is C=CCc1ccc(OC(=O)OC2([Si])CCCCO2)c(OC)c1.
What is the InChIKey of CID 68622767?
The InChIKey is HSCHZZAKUDZTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O5Si/c1-3-6-12-7-8-13(14(11-12)18-2)20-15(17)21-16(22)9-4-5-10-19-16/h3,7-8,11H,1,4-6,9-10H2,2H3.
What are the key properties of CID 68622767?
CID 68622767 has a molecular weight of 319.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68622767 is sourced from PubChem (CID 68622767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).