CID 168908388

C12H21NO5Si — CID 168908388

IUPAC—
SMILESCCOC(OCC)[Si]CCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C12H21NO5Si/c1-3-17-12(18-4-2)19-9-5-8-13-10(14)6-7-11(15)16/h6-7,12H,3-5,8-9H2,1-2H3,(H,13,14)(H,15,16)/b7-6-
InChIKeyUACIBPJSBMYWEN-SREVYHEPSA-N
MW287.39 g/mol
LogP0.61
Rot. Bonds11

About CID 168908388

CID 168908388 (PubChem CID 168908388) has the molecular formula C12H21NO5Si and a molecular weight of 287.39 g/mol.

Molecular Properties

Compound NameCID 168908388
PubChem CID168908388
Molecular FormulaC12H21NO5Si
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C12H21NO5Si/c1-3-17-12(18-4-2)19-9-5-8-13-10(14)6-7-11(15)16/h6-7,12H,3-5,8-9H2,1-2H3,(H,13,14)(H,15,16)/b7-6-
InChIKeyUACIBPJSBMYWEN-SREVYHEPSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide
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(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
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(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
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CID 170637664
CID 170637664
(E)-4-oxo-4-(2-propan-2-yloxyethylamino)but-2-enoic acid
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(E)-4-[3-[[3-[[(E)-3-carboxyprop-2-enoyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobut-2-enoic acid
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(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
(E)-4-[3-[dimethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoic acid
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5-(3-carboxyprop-2-enoylamino)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 168908388?
The IUPAC name of CID 168908388 (CID 168908388) is not available.
What is the SMILES notation for CID 168908388?
The canonical SMILES for CID 168908388 is CCOC(OCC)[Si]CCCNC(=O)/C=C\C(=O)O.
What is the InChIKey of CID 168908388?
The InChIKey is UACIBPJSBMYWEN-SREVYHEPSA-N. The full InChI is InChI=1S/C12H21NO5Si/c1-3-17-12(18-4-2)19-9-5-8-13-10(14)6-7-11(15)16/h6-7,12H,3-5,8-9H2,1-2H3,(H,13,14)(H,15,16)/b7-6-.
What are the key properties of CID 168908388?
CID 168908388 has a molecular weight of 287.39 g/mol, XLogP of 0.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168908388 is sourced from PubChem (CID 168908388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).