CID 139212281

C9H16O5Si3 — CID 139212281

IUPAC—
SMILESC=C(C)C(=O)OCCC[Si]1(OCC)O[Si][Si]O1
InChIInChI=1S/C9H16O5Si3/c1-4-12-17(13-15-16-14-17)7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3
InChIKeyZVZAAICSJNZODT-UHFFFAOYSA-N
MW288.48 g/mol
LogP0.67
Rot. Bonds7

About CID 139212281

CID 139212281 (PubChem CID 139212281) has the molecular formula C9H16O5Si3 and a molecular weight of 288.48 g/mol.

Molecular Properties

Compound NameCID 139212281
PubChem CID139212281
Molecular FormulaC9H16O5Si3
Molecular Weight288.48 g/mol
Exact Mass288.03
IUPAC Name—
SMILESC=C(C)C(=O)OCCC[Si]1(OCC)O[Si][Si]O1
InChIInChI=1S/C9H16O5Si3/c1-4-12-17(13-15-16-14-17)7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3
InChIKeyZVZAAICSJNZODT-UHFFFAOYSA-N
XLogP0.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate
CID 22590275
3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate
CID 20588104
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[3,7,10-trihydroxy-1,5,7,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6,8,9,11-hexaoxa-1,3,5,7,10-pentasilabicyclo[3.3.3]undecan-3-yl]propyl 2-methylprop-2-enoate
CID 101340901
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
3-(3-ethyloxiran-2-yl)propyl 2-methylprop-2-enoate
CID 19101506
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
sodium ethyl 2-methylprop-2-enoate
CID 23346885
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of CID 139212281?
The IUPAC name of CID 139212281 (CID 139212281) is not available.
What is the SMILES notation for CID 139212281?
The canonical SMILES for CID 139212281 is C=C(C)C(=O)OCCC[Si]1(OCC)O[Si][Si]O1.
What is the InChIKey of CID 139212281?
The InChIKey is ZVZAAICSJNZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5Si3/c1-4-12-17(13-15-16-14-17)7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of CID 139212281?
CID 139212281 has a molecular weight of 288.48 g/mol, XLogP of 0.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139212281 is sourced from PubChem (CID 139212281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).