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

C14H26OSi — CID 11806716

IUPAC2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane
SMILESCC1(C)[C@@H]2CC=C(CCO[Si](C)(C)C)[C@H]1C2
InChIInChI=1S/C14H26OSi/c1-14(2)12-7-6-11(13(14)10-12)8-9-15-16(3,4)5/h6,12-13H,7-10H2,1-5H3/t12-,13-/m1/s1
InChIKeyNODUFOLRWGNYFA-CHWSQXEVSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds4

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

2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane (PubChem CID 11806716) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane.

Molecular Properties

Compound Name2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane
PubChem CID11806716
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane
SMILESCC1(C)[C@@H]2CC=C(CCO[Si](C)(C)C)[C@H]1C2
InChIInChI=1S/C14H26OSi/c1-14(2)12-7-6-11(13(14)10-12)8-9-15-16(3,4)5/h6,12-13H,7-10H2,1-5H3/t12-,13-/m1/s1
InChIKeyNODUFOLRWGNYFA-CHWSQXEVSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.22
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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Related Compounds

Nopol
CID 31408
Nopol, (+-)-
CID 1272250
2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
6,6-Dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
CID 15410424
2-(2-Ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 15410423
2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-3-yl)ethan-1-ol
CID 12704151
2-((1S,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethan-1-ol
CID 2723711
2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
CID 18334282
(-)-Myrtenol, TMS derivative
CID 552637
(-)-Myrtenol, TBDMS derivative
CID 91697335
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane?
The IUPAC name of 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane (CID 11806716) is 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane.
What is the SMILES notation for 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane?
The canonical SMILES for 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane is CC1(C)[C@@H]2CC=C(CCO[Si](C)(C)C)[C@H]1C2.
What is the InChIKey of 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane?
The InChIKey is NODUFOLRWGNYFA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26OSi/c1-14(2)12-7-6-11(13(14)10-12)8-9-15-16(3,4)5/h6,12-13H,7-10H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane?
2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane is sourced from PubChem (CID 11806716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).