methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate

C13H24O3Si — CID 25138500

IUPACmethyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
SMILESCCCC1(C(=O)OC)COC/C1=C\[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-6-7-13(12(14)15-2)10-16-8-11(13)9-17(3,4)5/h9H,6-8,10H2,1-5H3/b11-9+
InChIKeyFLCPWJFSLJVHAG-PKNBQFBNSA-N
MW256.42 g/mol
LogP2.78
Rot. Bonds4

About methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate

methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate (PubChem CID 25138500) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
PubChem CID25138500
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
SMILESCCCC1(C(=O)OC)COC/C1=C\[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-6-7-13(12(14)15-2)10-16-8-11(13)9-17(3,4)5/h9H,6-8,10H2,1-5H3/b11-9+
InChIKeyFLCPWJFSLJVHAG-PKNBQFBNSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The IUPAC name of methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate (CID 25138500) is methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate.
What is the SMILES notation for methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The canonical SMILES for methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate is CCCC1(C(=O)OC)COC/C1=C\[Si](C)(C)C.
What is the InChIKey of methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The InChIKey is FLCPWJFSLJVHAG-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-7-13(12(14)15-2)10-16-8-11(13)9-17(3,4)5/h9H,6-8,10H2,1-5H3/b11-9+.
What are the key properties of methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate is sourced from PubChem (CID 25138500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).