[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane

C17H28OSi — CID 134997266

IUPAC[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(C3C=CC(C[Si](C)(C)C)O3)[C@@H]1C2
InChIInChI=1S/C17H28OSi/c1-17(2)12-6-8-14(15(17)10-12)16-9-7-13(18-16)11-19(3,4)5/h7-9,12-13,15-16H,6,10-11H2,1-5H3/t12-,13?,15-,16?/m0/s1
InChIKeyAGNBUBSRIKQUAJ-JMVNKWJPSA-N
MW276.50 g/mol
LogP4.64
Rot. Bonds3

About [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane

[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane (PubChem CID 134997266) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
PubChem CID134997266
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(C3C=CC(C[Si](C)(C)C)O3)[C@@H]1C2
InChIInChI=1S/C17H28OSi/c1-17(2)12-6-8-14(15(17)10-12)16-9-7-13(18-16)11-19(3,4)5/h7-9,12-13,15-16H,6,10-11H2,1-5H3/t12-,13?,15-,16?/m0/s1
InChIKeyAGNBUBSRIKQUAJ-JMVNKWJPSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.64
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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Frequently Asked Questions

What is the IUPAC name of [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane?
The IUPAC name of [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane (CID 134997266) is [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane.
What is the SMILES notation for [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane?
The canonical SMILES for [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane is CC1(C)[C@H]2CC=C(C3C=CC(C[Si](C)(C)C)O3)[C@@H]1C2.
What is the InChIKey of [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane?
The InChIKey is AGNBUBSRIKQUAJ-JMVNKWJPSA-N. The full InChI is InChI=1S/C17H28OSi/c1-17(2)12-6-8-14(15(17)10-12)16-9-7-13(18-16)11-19(3,4)5/h7-9,12-13,15-16H,6,10-11H2,1-5H3/t12-,13?,15-,16?/m0/s1.
What are the key properties of [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane?
[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane is sourced from PubChem (CID 134997266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).