methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate

C15H24O2Si — CID 10611686

IUPACmethyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
SMILESC=CCCC1(C(=O)OC)C=CCC=C1[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-6-7-11-15(14(16)17-2)12-9-8-10-13(15)18(3,4)5/h6,9-10,12H,1,7-8,11H2,2-5H3
InChIKeyNHTXCQJDEVXNML-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.88
Rot. Bonds5

About methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate

methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate (PubChem CID 10611686) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
PubChem CID10611686
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Namemethyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
SMILESC=CCCC1(C(=O)OC)C=CCC=C1[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-6-7-11-15(14(16)17-2)12-9-8-10-13(15)18(3,4)5/h6,9-10,12H,1,7-8,11H2,2-5H3
InChIKeyNHTXCQJDEVXNML-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl-1-butylcyclohexa-2,5-diene-1-carboxylate
CID 13673999
methyl (1S,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 10921824
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 102198541
methyl (Z)-3-tert-butyl-2-trimethylsilyloct-3-enoate
CID 102203800
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
methyl (1S,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134900576
methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134944041
Methyl 2-[1-prop-2-enyl-4-(trimethylsilylmethylidene)cyclohexa-2,5-dien-1-yl]acetate
CID 177594073
Methyl 2-allyl-3-(trimethylsilyl)-2-cyclopropene-1-carboxylate
CID 552552
Methyl 2-(trimethylsilyl)cyclohex-3-ene-1-carboxylate
CID 12726625

Frequently Asked Questions

What is the IUPAC name of methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The IUPAC name of methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate (CID 10611686) is methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate.
What is the SMILES notation for methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The canonical SMILES for methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate is C=CCCC1(C(=O)OC)C=CCC=C1[Si](C)(C)C.
What is the InChIKey of methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
The InChIKey is NHTXCQJDEVXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-6-7-11-15(14(16)17-2)12-9-8-10-13(15)18(3,4)5/h6,9-10,12H,1,7-8,11H2,2-5H3.
What are the key properties of methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate?
methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate has a molecular weight of 264.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-but-3-enyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate is sourced from PubChem (CID 10611686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).