methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate

C18H30O4Si — CID 70586981

IUPACmethyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate
SMILESCCCCCC=CC1C2C(O[Si](C)(C)C)CC(=O)C12C(=O)OC
InChIInChI=1S/C18H30O4Si/c1-6-7-8-9-10-11-13-16-14(22-23(3,4)5)12-15(19)18(13,16)17(20)21-2/h10-11,13-14,16H,6-9,12H2,1-5H3
InChIKeyJUAZHPZDXCHDCW-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.72
Rot. Bonds8

About methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate

methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 70586981) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate
PubChem CID70586981
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Namemethyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate
SMILESCCCCCC=CC1C2C(O[Si](C)(C)C)CC(=O)C12C(=O)OC
InChIInChI=1S/C18H30O4Si/c1-6-7-8-9-10-11-13-16-14(22-23(3,4)5)12-15(19)18(13,16)17(20)21-2/h10-11,13-14,16H,6-9,12H2,1-5H3
InChIKeyJUAZHPZDXCHDCW-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-hept-1-enyl-4-(oxan-2-yloxy)-2-oxobicyclo[3.1.0]hexane-1-carboxylate
CID 70586280
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143482
ethyl 5-[(1S,4R,5R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(E)-hept-1-enyl]-2-oxo-1-bicyclo[3.1.0]hexanyl]pentanoate
CID 10793249
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
acetyl acetate;3-oct-1-enyloxolane-2,5-dione
CID 173015921
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
methyl 3-[(E)-hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23158622
3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
3-oct-1-enyloxolane-2,5-dione
CID 24442
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865

Frequently Asked Questions

What is the IUPAC name of methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate (CID 70586981) is methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate is CCCCCC=CC1C2C(O[Si](C)(C)C)CC(=O)C12C(=O)OC.
What is the InChIKey of methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is JUAZHPZDXCHDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-6-7-8-9-10-11-13-16-14(22-23(3,4)5)12-15(19)18(13,16)17(20)21-2/h10-11,13-14,16H,6-9,12H2,1-5H3.
What are the key properties of methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate?
methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 70586981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).