[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane

C10H17AlO — CID 16687358

IUPAC[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
SMILESC[Al](C)OCC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H11O.2CH3.Al/c9-5-8-4-6-1-2-7(8)3-6;;;/h1-2,6-8H,3-5H2;2*1H3;/q-1;;;+1/t6-,7+,8?;;;/m1.../s1
InChIKeyDSMYHAPNOLNKDT-FGIGCNGDSA-N
MW180.23 g/mol
LogP2.47
Rot. Bonds3

About [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane

[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane (PubChem CID 16687358) has the molecular formula C10H17AlO and a molecular weight of 180.23 g/mol. Its IUPAC name is [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane.

Molecular Properties

Compound Name[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
PubChem CID16687358
Molecular FormulaC10H17AlO
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
SMILESC[Al](C)OCC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H11O.2CH3.Al/c9-5-8-4-6-1-2-7(8)3-6;;;/h1-2,6-8H,3-5H2;2*1H3;/q-1;;;+1/t6-,7+,8?;;;/m1.../s1
InChIKeyDSMYHAPNOLNKDT-FGIGCNGDSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
2-bicyclo[2.2.1]hept-5-enylmethoxy(diethyl)silane
CID 123661462
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 154203561
tris(2-bicyclo[2.2.1]hept-5-enylmethyl) phosphate
CID 70616526
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane
CID 71336937
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 58241645
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70640373

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane?
The IUPAC name of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane (CID 16687358) is [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane.
What is the SMILES notation for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane?
The canonical SMILES for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane is C[Al](C)OCC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane?
The InChIKey is DSMYHAPNOLNKDT-FGIGCNGDSA-N. The full InChI is InChI=1S/C8H11O.2CH3.Al/c9-5-8-4-6-1-2-7(8)3-6;;;/h1-2,6-8H,3-5H2;2*1H3;/q-1;;;+1/t6-,7+,8?;;;/m1.../s1.
What are the key properties of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane?
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane has a molecular weight of 180.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane is sourced from PubChem (CID 16687358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).