methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate

C11H18O3Si — CID 11470179

IUPACmethyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\COC\C1=C/[Si](C)(C)C
InChIInChI=1S/C11H18O3Si/c1-13-11(12)5-9-6-14-7-10(9)8-15(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+,10-8+
InChIKeyBWHKBZPFWSBMAB-MUDDOMJDSA-N
MW226.35 g/mol
LogP1.92
Rot. Bonds2

About methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate

methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate (PubChem CID 11470179) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate
PubChem CID11470179
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Namemethyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\COC\C1=C/[Si](C)(C)C
InChIInChI=1S/C11H18O3Si/c1-13-11(12)5-9-6-14-7-10(9)8-15(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+,10-8+
InChIKeyBWHKBZPFWSBMAB-MUDDOMJDSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
CID 177429398
methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
methyl (2E)-2-(oxolan-2-ylidene)acetate
CID 12999931
methyl 2-(1-acetylpiperidin-4-ylidene)acetate
CID 130490640
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methylidenecyclohexylidene]acetate
CID 54313452
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetate
CID 10622375
methyl 3-hydroxybut-2-enoate
CID 54691070
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259
methyl (2Z)-2-[(5S)-5-methyloxolan-2-ylidene]acetate
CID 12012875
methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
CID 74890594
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate (CID 11470179) is methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate is COC(=O)/C=C1\COC\C1=C/[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate?
The InChIKey is BWHKBZPFWSBMAB-MUDDOMJDSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-13-11(12)5-9-6-14-7-10(9)8-15(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+,10-8+.
What are the key properties of methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate?
methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate has a molecular weight of 226.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate is sourced from PubChem (CID 11470179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).