ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate

C17H30O3Si — CID 134982348

IUPACethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-19-16(18)15-12-13(2)14(15)10-9-11-20-21(6,7)17(3,4)5/h10,15H,2,8-9,11-12H2,1,3-7H3/b14-10+
InChIKeyKBZYVOPFDSAZSU-GXDHUFHOSA-N
MW310.51 g/mol
LogP4.46
Rot. Bonds6

About ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate

ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate (PubChem CID 134982348) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate
PubChem CID134982348
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nameethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-19-16(18)15-12-13(2)14(15)10-9-11-20-21(6,7)17(3,4)5/h10,15H,2,8-9,11-12H2,1,3-7H3/b14-10+
InChIKeyKBZYVOPFDSAZSU-GXDHUFHOSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
ethyl (2Z)-2-ethylidene-3-methylidenecyclobutane-1-carboxylate
CID 13979982
ethyl (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienoate
CID 102150885
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate
CID 134982347
(E)-ethyl 7-((tert-butyldimethylsilyl)oxy)-4-methylnon-4-enoate
CID 131744080
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 140693491
Ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
CID 173004820
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 173603628
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate
CID 10804207
diethyl (3E)-3-[5-[tert-butyl(dimethyl)silyl]oxypentylidene]-4-methylidenehexanedioate
CID 11292847
ethyl (4E,6S,9E,11R)-4,6,10-trimethyl-8-methylidene-11-triethylsilyloxytrideca-4,9-dienoate
CID 11396110

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate (CID 134982348) is ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate is C=C1CC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate?
The InChIKey is KBZYVOPFDSAZSU-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-8-19-16(18)15-12-13(2)14(15)10-9-11-20-21(6,7)17(3,4)5/h10,15H,2,8-9,11-12H2,1,3-7H3/b14-10+.
What are the key properties of ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate?
ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 134982348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).