ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate

C19H35NO4Si — CID 11234034

IUPACethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate
SMILESCCOC(=O)C(C=C=C(C(C)(C)C)[Si](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO4Si/c1-11-23-16(21)14(20-17(22)24-19(5,6)7)12-13-15(18(2,3)4)25(8,9)10/h12,14H,11H2,1-10H3,(H,20,22)
InChIKeyKQCIEMNOHGDHLV-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.45
Rot. Bonds5

About ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate

ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate (PubChem CID 11234034) has the molecular formula C19H35NO4Si and a molecular weight of 369.58 g/mol. Its IUPAC name is ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate.

Molecular Properties

Compound Nameethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate
PubChem CID11234034
Molecular FormulaC19H35NO4Si
Molecular Weight369.58 g/mol
Exact Mass369.23
IUPAC Nameethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate
SMILESCCOC(=O)C(C=C=C(C(C)(C)C)[Si](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO4Si/c1-11-23-16(21)14(20-17(22)24-19(5,6)7)12-13-15(18(2,3)4)25(8,9)10/h12,14H,11H2,1-10H3,(H,20,22)
InChIKeyKQCIEMNOHGDHLV-UHFFFAOYSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate?
The IUPAC name of ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate (CID 11234034) is ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate.
What is the SMILES notation for ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate?
The canonical SMILES for ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate is CCOC(=O)C(C=C=C(C(C)(C)C)[Si](C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate?
The InChIKey is KQCIEMNOHGDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4Si/c1-11-23-16(21)14(20-17(22)24-19(5,6)7)12-13-15(18(2,3)4)25(8,9)10/h12,14H,11H2,1-10H3,(H,20,22).
What are the key properties of ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate?
ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate has a molecular weight of 369.58 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylhepta-3,4-dienoate is sourced from PubChem (CID 11234034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).