(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline

C11H20OSi — CID 134889402

IUPAC(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
SMILESC[C@@H]1C=C[C@@H]2CCO[Si](C)(C)C2C1
InChIInChI=1S/C11H20OSi/c1-9-4-5-10-6-7-12-13(2,3)11(10)8-9/h4-5,9-11H,6-8H2,1-3H3/t9-,10-,11?/m1/s1
InChIKeyMXCLUNKGPORYHJ-DIOIDXFWSA-N
MW196.37 g/mol
LogP3.19
Rot. Bonds

About (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline

(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline (PubChem CID 134889402) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline.

Molecular Properties

Compound Name(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
PubChem CID134889402
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
SMILESC[C@@H]1C=C[C@@H]2CCO[Si](C)(C)C2C1
InChIInChI=1S/C11H20OSi/c1-9-4-5-10-6-7-12-13(2,3)11(10)8-9/h4-5,9-11H,6-8H2,1-3H3/t9-,10-,11?/m1/s1
InChIKeyMXCLUNKGPORYHJ-DIOIDXFWSA-N
XLogP3.19
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 ≤ 53.19
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'}

Analyze (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline with MolForge

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Related Compounds

1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
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)-7-tert-butyl-1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889310
1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134900840
Trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane
CID 134906639
2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 134991840
Tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
CID 138974292
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
2-Cyclohex-2-en-1-ylprop-2-enoxy(triethyl)silane
CID 176427816

Frequently Asked Questions

What is the IUPAC name of (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The IUPAC name of (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline (CID 134889402) is (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline.
What is the SMILES notation for (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The canonical SMILES for (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline is C[C@@H]1C=C[C@@H]2CCO[Si](C)(C)C2C1.
What is the InChIKey of (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The InChIKey is MXCLUNKGPORYHJ-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H20OSi/c1-9-4-5-10-6-7-12-13(2,3)11(10)8-9/h4-5,9-11H,6-8H2,1-3H3/t9-,10-,11?/m1/s1.
What are the key properties of (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline has a molecular weight of 196.37 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline is sourced from PubChem (CID 134889402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).