[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane

C21H36O2Si — CID 102376869

IUPAC[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane
SMILESCO/C(=C\C(C1CC2CCC1C2)C1CC2CCC1C2)O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si/c1-22-21(23-24(2,3)4)13-20(18-11-14-5-7-16(18)9-14)19-12-15-6-8-17(19)10-15/h13-20H,5-12H2,1-4H3/b21-13+
InChIKeyWTJSUULPKSFCFC-FYJGNVAPSA-N
MW348.60 g/mol
LogP5.81
Rot. Bonds6

About [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane

[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane (PubChem CID 102376869) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane
PubChem CID102376869
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane
SMILESCO/C(=C\C(C1CC2CCC1C2)C1CC2CCC1C2)O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si/c1-22-21(23-24(2,3)4)13-20(18-11-14-5-7-16(18)9-14)19-12-15-6-8-17(19)10-15/h13-20H,5-12H2,1-4H3/b21-13+
InChIKeyWTJSUULPKSFCFC-FYJGNVAPSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
bicyclo[2.2.1]heptan-2-ol;methoxy(trimethyl)silane
CID 158307954
1-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylthiourea
CID 98393045
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-bromopropanoate
CID 103233673
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58636264
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543

Frequently Asked Questions

What is the IUPAC name of [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane (CID 102376869) is [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane is CO/C(=C\C(C1CC2CCC1C2)C1CC2CCC1C2)O[Si](C)(C)C.
What is the InChIKey of [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane?
The InChIKey is WTJSUULPKSFCFC-FYJGNVAPSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-22-21(23-24(2,3)4)13-20(18-11-14-5-7-16(18)9-14)19-12-15-6-8-17(19)10-15/h13-20H,5-12H2,1-4H3/b21-13+.
What are the key properties of [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane?
[(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane has a molecular weight of 348.60 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3-bis(2-bicyclo[2.2.1]heptanyl)-1-methoxyprop-1-enoxy]-trimethylsilane is sourced from PubChem (CID 102376869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).