1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine

C11H20OSi — CID 134900840

IUPAC1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
SMILESC[Si]1(C)OCCCC2C=CCCC21
InChIInChI=1S/C11H20OSi/c1-13(2)11-8-4-3-6-10(11)7-5-9-12-13/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyNKPUGXGCAIWMSS-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.34
Rot. Bonds

About 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine

1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine (PubChem CID 134900840) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine.

Molecular Properties

Compound Name1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
PubChem CID134900840
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
SMILESC[Si]1(C)OCCCC2C=CCCC21
InChIInChI=1S/C11H20OSi/c1-13(2)11-8-4-3-6-10(11)7-5-9-12-13/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyNKPUGXGCAIWMSS-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.34
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

1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
(6S)-6-cyclohexyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 101106396
Tert-butyl-dimethyl-(3-prop-2-enylcyclohepten-1-yl)oxysilane
CID 101155880
Tert-butyl-[(6-ethenylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 102475885
(5aS,8S)-1,1,8-trimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134889206
1,1-Dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889240
(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889402
(5aS,8S)-8-tert-butyl-1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134897709
3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134991252

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine?
The IUPAC name of 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine (CID 134900840) is 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine.
What is the SMILES notation for 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine?
The canonical SMILES for 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine is C[Si]1(C)OCCCC2C=CCCC21.
What is the InChIKey of 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine?
The InChIKey is NKPUGXGCAIWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-13(2)11-8-4-3-6-10(11)7-5-9-12-13/h3,6,10-11H,4-5,7-9H2,1-2H3.
What are the key properties of 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine?
1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine has a molecular weight of 196.37 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine is sourced from PubChem (CID 134900840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).