dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane

C13H24O2Si — CID 175906781

IUPACdimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane
SMILESCO[SiH](CC1CC2CC(=C1C)C2(C)C)OC
InChIInChI=1S/C13H24O2Si/c1-9-10(8-16(14-4)15-5)6-11-7-12(9)13(11,2)3/h10-11,16H,6-8H2,1-5H3
InChIKeyZYZGHZVITNRARY-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.88
Rot. Bonds4

About dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane

dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane (PubChem CID 175906781) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane.

Molecular Properties

Compound Namedimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane
PubChem CID175906781
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namedimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane
SMILESCO[SiH](CC1CC2CC(=C1C)C2(C)C)OC
InChIInChI=1S/C13H24O2Si/c1-9-10(8-16(14-4)15-5)6-11-7-12(9)13(11,2)3/h10-11,16H,6-8H2,1-5H3
InChIKeyZYZGHZVITNRARY-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane?
The IUPAC name of dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane (CID 175906781) is dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane.
What is the SMILES notation for dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane?
The canonical SMILES for dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane is CO[SiH](CC1CC2CC(=C1C)C2(C)C)OC.
What is the InChIKey of dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane?
The InChIKey is ZYZGHZVITNRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-9-10(8-16(14-4)15-5)6-11-7-12(9)13(11,2)3/h10-11,16H,6-8H2,1-5H3.
What are the key properties of dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane?
dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane has a molecular weight of 240.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)methyl]silane is sourced from PubChem (CID 175906781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).