CID 136825678

C12H18O5Si2 — CID 136825678

IUPAC—
SMILESC=CC(=O)OCCC[Si]O[Si]CCCOC(=O)C=C
InChIInChI=1S/C12H18O5Si2/c1-3-11(13)15-7-5-9-18-17-19-10-6-8-16-12(14)4-2/h3-4H,1-2,5-10H2
InChIKeyAKNTVKVXRIAVCW-UHFFFAOYSA-N
MW298.44 g/mol
LogP1.32
Rot. Bonds12

About CID 136825678

CID 136825678 (PubChem CID 136825678) has the molecular formula C12H18O5Si2 and a molecular weight of 298.44 g/mol.

Molecular Properties

Compound NameCID 136825678
PubChem CID136825678
Molecular FormulaC12H18O5Si2
Molecular Weight298.44 g/mol
Exact Mass298.07
IUPAC Name—
SMILESC=CC(=O)OCCC[Si]O[Si]CCCOC(=O)C=C
InChIInChI=1S/C12H18O5Si2/c1-3-11(13)15-7-5-9-18-17-19-10-6-8-16-12(14)4-2/h3-4H,1-2,5-10H2
InChIKeyAKNTVKVXRIAVCW-UHFFFAOYSA-N
XLogP1.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.32
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

azane;3-prop-2-enoyloxypropyl prop-2-enoate
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8-prop-2-enoyloxyoctyl prop-2-enoate
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4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-phosphanylpropyl prop-2-enoate
CID 151934369
CID 156681524
CID 156681524
CID 156681365
CID 156681365
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
methyl(10-prop-2-enoyloxydecyl)azanium chloride
CID 141008842
12-hydroxydodecyl prop-2-enoate
CID 19859974
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338

Frequently Asked Questions

What is the IUPAC name of CID 136825678?
The IUPAC name of CID 136825678 (CID 136825678) is not available.
What is the SMILES notation for CID 136825678?
The canonical SMILES for CID 136825678 is C=CC(=O)OCCC[Si]O[Si]CCCOC(=O)C=C.
What is the InChIKey of CID 136825678?
The InChIKey is AKNTVKVXRIAVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5Si2/c1-3-11(13)15-7-5-9-18-17-19-10-6-8-16-12(14)4-2/h3-4H,1-2,5-10H2.
What are the key properties of CID 136825678?
CID 136825678 has a molecular weight of 298.44 g/mol, XLogP of 1.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136825678 is sourced from PubChem (CID 136825678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).