(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine

C12H22OSi — CID 91982734

IUPAC(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
SMILESC=C(C)C[C@H]1CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1
InChIKeyHJQZFXYFOCWMSS-LBPRGKRZSA-N
MW210.39 g/mol
LogP3.89
Rot. Bonds2

About (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine

(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine (PubChem CID 91982734) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine.

Molecular Properties

Compound Name(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
PubChem CID91982734
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
SMILESC=C(C)C[C@H]1CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1
InChIKeyHJQZFXYFOCWMSS-LBPRGKRZSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.89
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-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane
CID 158174309
Tert-butyl-dimethyl-(2-methylcyclopent-2-en-1-yl)oxysilane
CID 14161623
tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 88924821
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
CID 10753477
triethyl-[(1S)-2-methylcyclopent-2-en-1-yl]oxysilane
CID 10867611
triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 11139703
2,6-Dimethylhepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane
CID 11264920
1-Oxa-2-silacyclohept-4-ene, 2,2,5-trimethyl-7-(2-methyl-2-propenyl)-
CID 11344864
(1R,6R)-3-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984252
Trimethyl-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]oxysilane
CID 15710215
tert-butyl-dimethyl-[(4S)-7-methyl-6-(tributylstannylmethyl)octa-1,6-dien-4-yl]oxysilane
CID 16079530

Frequently Asked Questions

What is the IUPAC name of (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The IUPAC name of (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine (CID 91982734) is (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine.
What is the SMILES notation for (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The canonical SMILES for (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine is C=C(C)C[C@H]1CC(C)=CC[Si](C)(C)O1.
What is the InChIKey of (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The InChIKey is HJQZFXYFOCWMSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1.
What are the key properties of (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine has a molecular weight of 210.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine is sourced from PubChem (CID 91982734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).