[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane

C14H24OSi — CID 102393441

IUPAC[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyZURXNNSFUXVRRM-NEPJUHHUSA-N
MW236.43 g/mol
LogP4.14
Rot. Bonds3

About [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane

[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102393441) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane
PubChem CID102393441
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyZURXNNSFUXVRRM-NEPJUHHUSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
(3aR,6S,7aR)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 10261766
(3aR,6S,7aS)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 10397455
tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10848449
tert-butyl-[(1R,5R)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11064929
Tert-butyl-[(6-ethenylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 102475885
(3aR,7aR)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134861110
(3aR,7aS)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134861217
triethyl-[(1R,5R)-5-methylcyclohex-2-en-1-yl]oxysilane
CID 134888596
(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889175
[(1R,5S,6R)-6-bicyclo[3.1.0]hex-2-enyl]methoxy-tri(propan-2-yl)silane
CID 135066582
Tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
CID 138974292

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane (CID 102393441) is [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZURXNNSFUXVRRM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane?
[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102393441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).