ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate

C13H24O3Si — CID 73192843

IUPACethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCCOC(=O)C1C2CCCCC21O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyMHDDBMPQPLHLQO-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds4

About ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate

ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 73192843) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
PubChem CID73192843
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCCOC(=O)C1C2CCCCC21O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyMHDDBMPQPLHLQO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl spiro[3,5-dihydropyrazole-4,8'-bicyclo[5.1.0]octane]-3-carboxylate
CID 101238418
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
ethyl (4S,5aS,10aR)-5-ethoxy-5-trimethylsilyloxy-2,3,4,5a,6,7,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-4-carboxylate
CID 50923352
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl (2R,3S,4R)-4-methyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 124709124
cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
CID 54441398
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
ethyl 8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1,2-benzoxazine-3-carboxylate
CID 14590245
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 131538145
ethyl 1-(1,2,2-trichloroethenyl)spiro[2.5]octane-2-carboxylate
CID 13477514

Frequently Asked Questions

What is the IUPAC name of ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (CID 73192843) is ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is CCOC(=O)C1C2CCCCC21O[Si](C)(C)C.
What is the InChIKey of ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is MHDDBMPQPLHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 73192843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).