[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H26O2Si — CID 141103584

IUPAC[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)[Si](C)(OC(=O)C1CC2C=CC1C2)C(C)C
InChIInChI=1S/C15H26O2Si/c1-10(2)18(5,11(3)4)17-15(16)14-9-12-6-7-13(14)8-12/h6-7,10-14H,8-9H2,1-5H3
InChIKeyBKUNFOWJPJOPHD-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.14
Rot. Bonds4

About [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate

[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 141103584) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID141103584
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)[Si](C)(OC(=O)C1CC2C=CC1C2)C(C)C
InChIInChI=1S/C15H26O2Si/c1-10(2)18(5,11(3)4)17-15(16)14-9-12-6-7-13(14)8-12/h6-7,10-14H,8-9H2,1-5H3
InChIKeyBKUNFOWJPJOPHD-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.14
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

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
[(2S)-1-ethoxy-1-oxopropan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101371570
(2,3,4,5,6-pentafluorophenyl) (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 53260987
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)propan-2-yloxy]propyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 168788157
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
tert-butyl (1S,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99724885
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
(2S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-hydroxypropan-1-one
CID 10034968
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
1-hydroxypropyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22250739
4-methylpentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012012

Frequently Asked Questions

What is the IUPAC name of [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 141103584) is [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(C)[Si](C)(OC(=O)C1CC2C=CC1C2)C(C)C.
What is the InChIKey of [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is BKUNFOWJPJOPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-10(2)18(5,11(3)4)17-15(16)14-9-12-6-7-13(14)8-12/h6-7,10-14H,8-9H2,1-5H3.
What are the key properties of [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 266.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 141103584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).