1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol

C15H28O2Si — CID 134857310

IUPAC1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol
SMILESCOC(C(O)C1=CCC2CC1C2(C)C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-15(2)10-7-8-11(12(15)9-10)13(16)14(17-3)18(4,5)6/h8,10,12-14,16H,7,9H2,1-6H3
InChIKeyNLQRFTSDSTUWMS-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.23
Rot. Bonds4

About 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol

1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol (PubChem CID 134857310) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol.

Molecular Properties

Compound Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol
PubChem CID134857310
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol
SMILESCOC(C(O)C1=CCC2CC1C2(C)C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-15(2)10-7-8-11(12(15)9-10)13(16)14(17-3)18(4,5)6/h8,10,12-14,16H,7,9H2,1-6H3
InChIKeyNLQRFTSDSTUWMS-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
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 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol?
The IUPAC name of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol (CID 134857310) is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol.
What is the SMILES notation for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol?
The canonical SMILES for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol is COC(C(O)C1=CCC2CC1C2(C)C)[Si](C)(C)C.
What is the InChIKey of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol?
The InChIKey is NLQRFTSDSTUWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-15(2)10-7-8-11(12(15)9-10)13(16)14(17-3)18(4,5)6/h8,10,12-14,16H,7,9H2,1-6H3.
What are the key properties of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol?
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol has a molecular weight of 268.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methoxy-2-trimethylsilylethanol is sourced from PubChem (CID 134857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).