CID 18709898

C16H27O4Si2 — CID 18709898

IUPAC—
SMILESC=[Si]OC(C)C/C=C/C=C/C(O[Si]C)C(C)C(=O)OC(C)C
InChIInChI=1S/C16H27O4Si2/c1-12(2)18-16(17)14(4)15(20-22-6)11-9-7-8-10-13(3)19-21-5/h7-9,11-15H,5,10H2,1-4,6H3/b8-7+,11-9+
InChIKeyJPMSDUDROLYRHV-MFDVASPDSA-N
MW339.56 g/mol
LogP2.59
Rot. Bonds11

About CID 18709898

CID 18709898 (PubChem CID 18709898) has the molecular formula C16H27O4Si2 and a molecular weight of 339.56 g/mol.

Molecular Properties

Compound NameCID 18709898
PubChem CID18709898
Molecular FormulaC16H27O4Si2
Molecular Weight339.56 g/mol
Exact Mass339.14
IUPAC Name—
SMILESC=[Si]OC(C)C/C=C/C=C/C(O[Si]C)C(C)C(=O)OC(C)C
InChIInChI=1S/C16H27O4Si2/c1-12(2)18-16(17)14(4)15(20-22-6)11-9-7-8-10-13(3)19-21-5/h7-9,11-15H,5,10H2,1-4,6H3/b8-7+,11-9+
InChIKeyJPMSDUDROLYRHV-MFDVASPDSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
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methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
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CID 18709864
CID 18709864
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 90362172
methyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10890954
ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10934985
dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate
CID 11164589
methyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]hex-4-enoate
CID 11208757
methyl (E,2R,3S,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-6-methylideneoct-4-enoate
CID 11690798
methyl (E,2S,3R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-methylidene-9-oxo-3-triethylsilyloxynon-4-enoate
CID 11719757
2-trimethylsilylethyl (E,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-enoate
CID 45275913
methyl (4E,6S,8E,10E,12E,14E,16E,18R,19S)-6,18,20-tris[[tert-butyl(dimethyl)silyl]oxy]-19-methylicosa-4,8,10,12,14,16-hexaenoate
CID 71480402

Frequently Asked Questions

What is the IUPAC name of CID 18709898?
The IUPAC name of CID 18709898 (CID 18709898) is not available.
What is the SMILES notation for CID 18709898?
The canonical SMILES for CID 18709898 is C=[Si]OC(C)C/C=C/C=C/C(O[Si]C)C(C)C(=O)OC(C)C.
What is the InChIKey of CID 18709898?
The InChIKey is JPMSDUDROLYRHV-MFDVASPDSA-N. The full InChI is InChI=1S/C16H27O4Si2/c1-12(2)18-16(17)14(4)15(20-22-6)11-9-7-8-10-13(3)19-21-5/h7-9,11-15H,5,10H2,1-4,6H3/b8-7+,11-9+.
What are the key properties of CID 18709898?
CID 18709898 has a molecular weight of 339.56 g/mol, XLogP of 2.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18709898 is sourced from PubChem (CID 18709898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).