(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one

C12H22O2Si2 — CID 102376047

IUPAC(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\COC(=O)\C1=C/[Si](C)(C)C
InChIInChI=1S/C12H22O2Si2/c1-15(2,3)8-10-7-14-12(13)11(10)9-16(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-
InChIKeyNWXYTPUSBANJJG-GOOGBFEESA-N
MW254.48 g/mol
LogP3.15
Rot. Bonds2

About (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one

(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one (PubChem CID 102376047) has the molecular formula C12H22O2Si2 and a molecular weight of 254.48 g/mol. Its IUPAC name is (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
PubChem CID102376047
Molecular FormulaC12H22O2Si2
Molecular Weight254.48 g/mol
Exact Mass254.12
IUPAC Name(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\COC(=O)\C1=C/[Si](C)(C)C
InChIInChI=1S/C12H22O2Si2/c1-15(2,3)8-10-7-14-12(13)11(10)9-16(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-
InChIKeyNWXYTPUSBANJJG-GOOGBFEESA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one 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 (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The IUPAC name of (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one (CID 102376047) is (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one.
What is the SMILES notation for (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The canonical SMILES for (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one is C[Si](C)(C)/C=C1\COC(=O)\C1=C/[Si](C)(C)C.
What is the InChIKey of (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The InChIKey is NWXYTPUSBANJJG-GOOGBFEESA-N. The full InChI is InChI=1S/C12H22O2Si2/c1-15(2,3)8-10-7-14-12(13)11(10)9-16(4,5)6/h8-9H,7H2,1-6H3/b10-8+,11-9-.
What are the key properties of (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
(3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one has a molecular weight of 254.48 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3,4-bis(trimethylsilylmethylidene)oxolan-2-one is sourced from PubChem (CID 102376047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).