(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine

C18H32OSi — CID 101169026

IUPAC(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine
SMILESC=C(C)C[C@]1(C2CCCCC2)CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C18H32OSi/c1-15(2)13-18(17-9-7-6-8-10-17)14-16(3)11-12-20(4,5)19-18/h11,17H,1,6-10,12-14H2,2-5H3/t18-/m1/s1
InChIKeyCGBOITSSQSGAEC-GOSISDBHSA-N
MW292.54 g/mol
LogP5.84
Rot. Bonds3

About (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine

(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine (PubChem CID 101169026) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine.

Molecular Properties

Compound Name(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine
PubChem CID101169026
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine
SMILESC=C(C)C[C@]1(C2CCCCC2)CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C18H32OSi/c1-15(2)13-18(17-9-7-6-8-10-17)14-16(3)11-12-20(4,5)19-18/h11,17H,1,6-10,12-14H2,2-5H3/t18-/m1/s1
InChIKeyCGBOITSSQSGAEC-GOSISDBHSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.84
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

tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
Trimethyl((2-(4-methylcyclohex-3-en-1-yl)propan-2-yl)oxy)silane
CID 582864
alpha-Bisabolol, TMS derivative
CID 14486055
(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
CID 101474218
(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
CID 101474220
Triethyl-[(5-methyl-1,2,6,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
CID 134979687
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
3-Cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol
CID 135049604
(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol
CID 135062831
8,8-Di(propan-2-yl)-7-oxa-8-silaspiro[5.6]dodec-10-ene
CID 138967160
[(Z)-1-cyclohexylhex-1-enoxy]-triethylsilane
CID 162419200
4betaH,5alpha-Eremophil-1(10)-ene, 11-(trimethylsiloxy)-
CID 552428

Frequently Asked Questions

What is the IUPAC name of (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine?
The IUPAC name of (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine (CID 101169026) is (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine.
What is the SMILES notation for (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine?
The canonical SMILES for (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine is C=C(C)C[C@]1(C2CCCCC2)CC(C)=CC[Si](C)(C)O1.
What is the InChIKey of (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine?
The InChIKey is CGBOITSSQSGAEC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32OSi/c1-15(2)13-18(17-9-7-6-8-10-17)14-16(3)11-12-20(4,5)19-18/h11,17H,1,6-10,12-14H2,2-5H3/t18-/m1/s1.
What are the key properties of (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine?
(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine has a molecular weight of 292.54 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine is sourced from PubChem (CID 101169026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).