trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane

C17H29NOSi2 — CID 134844121

IUPACtrimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
SMILESCc1nc2c(o1)CCC/C2=C/C(=C/[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi2/c1-13-18-17-14(9-8-10-16(17)19-13)11-15(21(5,6)7)12-20(2,3)4/h11-12H,8-10H2,1-7H3/b14-11-,15-12-
InChIKeySCVKIMUFTBOQAS-GFCQZRJLSA-N
MW319.60 g/mol
LogP5.38
Rot. Bonds3

About trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane

trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane (PubChem CID 134844121) has the molecular formula C17H29NOSi2 and a molecular weight of 319.60 g/mol. Its IUPAC name is trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
PubChem CID134844121
Molecular FormulaC17H29NOSi2
Molecular Weight319.60 g/mol
Exact Mass319.18
IUPAC Nametrimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
SMILESCc1nc2c(o1)CCC/C2=C/C(=C/[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi2/c1-13-18-17-14(9-8-10-16(17)19-13)11-15(21(5,6)7)12-20(2,3)4/h11-12H,8-10H2,1-7H3/b14-11-,15-12-
InChIKeySCVKIMUFTBOQAS-GFCQZRJLSA-N
XLogP5.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.60
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane with MolForge

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Related Compounds

Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
trimethyl-[(Z,3Z)-3-[2-(2-phenylethyl)-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene]-1-trimethylsilylprop-1-en-2-yl]silane
CID 134843674
trimethyl-[(Z,3E)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134844122
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2,5-Dimethyl-4-pent-2-en-3-yl-1,3-oxazole
CID 90849363
CID 143028053
CID 143028053
5-Ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 143588222
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole;ethane
CID 144347348
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole;ethane
CID 145576432
5-Ethyl-2-propan-2-yl-6,7-dihydro-1,3-benzoxazole
CID 156393006
Trimethyl-[2-(6-methyl-6,7-dihydro-1,3-benzoxazol-2-yl)ethynyl]silane
CID 173756521

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane?
The IUPAC name of trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane (CID 134844121) is trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane?
The canonical SMILES for trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane is Cc1nc2c(o1)CCC/C2=C/C(=C/[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane?
The InChIKey is SCVKIMUFTBOQAS-GFCQZRJLSA-N. The full InChI is InChI=1S/C17H29NOSi2/c1-13-18-17-14(9-8-10-16(17)19-13)11-15(21(5,6)7)12-20(2,3)4/h11-12H,8-10H2,1-7H3/b14-11-,15-12-.
What are the key properties of trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane?
trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane has a molecular weight of 319.60 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane is sourced from PubChem (CID 134844121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).