(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C16H28O2Si — CID 23496726

IUPAC(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(CC[Si](C)(C)C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-16(2,8-9-19(3,4)5)18-15(17)14-11-12-6-7-13(14)10-12/h6-7,12-14H,8-11H2,1-5H3
InChIKeyHEWWXFLXKIFIQP-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.25
Rot. Bonds5

About (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23496726) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23496726
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(CC[Si](C)(C)C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-16(2,8-9-19(3,4)5)18-15(17)14-11-12-6-7-13(14)10-12/h6-7,12-14H,8-11H2,1-5H3
InChIKeyHEWWXFLXKIFIQP-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.25
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'}

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Related Compounds

(1,3-dihydroxy-2-methylpropan-2-yl) (1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11831113
tert-butyl (1S,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99724885
2,5-dimethylhept-6-en-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 122583990
3-methylheptan-3-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012053
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14391647
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
2-phenylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 162701201
(3,3,4,4,5,5,6,6-octafluoro-2-methylhexan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 89138982
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765
N-(2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 65110649
[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 141103584

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23496726) is (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(C)(CC[Si](C)(C)C)OC(=O)C1CC2C=CC1C2.
What is the InChIKey of (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is HEWWXFLXKIFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,8-9-19(3,4)5)18-15(17)14-11-12-6-7-13(14)10-12/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 280.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23496726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).