CID 140502794

C15H31NO4Si- — CID 140502794

IUPAC—
SMILESC=CC(=O)N(CCC)CCC[Si-](OCC)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-6-12-16(15(17)7-2)13-11-14-21(18-8-3,19-9-4)20-10-5/h7H,2,6,8-14H2,1,3-5H3/q-1
InChIKeyILOQTNBPONIXML-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.85
Rot. Bonds13

About CID 140502794

CID 140502794 (PubChem CID 140502794) has the molecular formula C15H31NO4Si- and a molecular weight of 317.50 g/mol.

Molecular Properties

Compound NameCID 140502794
PubChem CID140502794
Molecular FormulaC15H31NO4Si-
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name—
SMILESC=CC(=O)N(CCC)CCC[Si-](OCC)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-6-12-16(15(17)7-2)13-11-14-21(18-8-3,19-9-4)20-10-5/h7H,2,6,8-14H2,1,3-5H3/q-1
InChIKeyILOQTNBPONIXML-UHFFFAOYSA-N
XLogP2.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
CID 131970660
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343

Frequently Asked Questions

What is the IUPAC name of CID 140502794?
The IUPAC name of CID 140502794 (CID 140502794) is not available.
What is the SMILES notation for CID 140502794?
The canonical SMILES for CID 140502794 is C=CC(=O)N(CCC)CCC[Si-](OCC)(OCC)OCC.
What is the InChIKey of CID 140502794?
The InChIKey is ILOQTNBPONIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-6-12-16(15(17)7-2)13-11-14-21(18-8-3,19-9-4)20-10-5/h7H,2,6,8-14H2,1,3-5H3/q-1.
What are the key properties of CID 140502794?
CID 140502794 has a molecular weight of 317.50 g/mol, XLogP of 2.85, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140502794 is sourced from PubChem (CID 140502794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).