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

C17H28OSi — CID 134997267

IUPAC[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(COCC3=C([Si](C)(C)C)C3)[C@@H]1C2
InChIInChI=1S/C17H28OSi/c1-17(2)14-7-6-12(15(17)9-14)10-18-11-13-8-16(13)19(3,4)5/h6,14-15H,7-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyMJGSXYPNXZXXLB-GJZGRUSLSA-N
MW276.50 g/mol
LogP4.57
Rot. Bonds5

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

[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane (PubChem CID 134997267) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
PubChem CID134997267
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(COCC3=C([Si](C)(C)C)C3)[C@@H]1C2
InChIInChI=1S/C17H28OSi/c1-17(2)14-7-6-12(15(17)9-14)10-18-11-13-8-16(13)19(3,4)5/h6,14-15H,7-11H2,1-5H3/t14-,15-/m0/s1
InChIKeyMJGSXYPNXZXXLB-GJZGRUSLSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.57
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 [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane?
The IUPAC name of [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane (CID 134997267) is [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane.
What is the SMILES notation for [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane?
The canonical SMILES for [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane is CC1(C)[C@H]2CC=C(COCC3=C([Si](C)(C)C)C3)[C@@H]1C2.
What is the InChIKey of [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane?
The InChIKey is MJGSXYPNXZXXLB-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28OSi/c1-17(2)14-7-6-12(15(17)9-14)10-18-11-13-8-16(13)19(3,4)5/h6,14-15H,7-11H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane?
[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane is sourced from PubChem (CID 134997267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).