(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole

C10H18OSi — CID 134889175

IUPAC(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
SMILESC[C@@H]1C=C[C@@H]2CO[Si](C)(C)C2C1
InChIInChI=1S/C10H18OSi/c1-8-4-5-9-7-11-12(2,3)10(9)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyJOKYOATZEUOUPL-MGRQHWMJSA-N
MW182.34 g/mol
LogP2.80
Rot. Bonds

About (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole

(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole (PubChem CID 134889175) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
PubChem CID134889175
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
SMILESC[C@@H]1C=C[C@@H]2CO[Si](C)(C)C2C1
InChIInChI=1S/C10H18OSi/c1-8-4-5-9-7-11-12(2,3)10(9)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyJOKYOATZEUOUPL-MGRQHWMJSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.80
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
(3aR,6S,7aR)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 10261766
(3aR,6S,7aS)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 10397455
(3aR,7aR)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134861110
(3aR,7aS)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134861217
(3aR,6S)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889222
1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889397
(3aR,6S,7aR)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134979344
(3aR,6S,7aS)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134991924
1-Bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane
CID 69411007
2-Bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane
CID 69411849
[(6R)-6-bicyclo[3.1.0]hex-2-enyl]methoxy-tert-butyl-dimethylsilane
CID 69469634

Frequently Asked Questions

What is the IUPAC name of (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole?
The IUPAC name of (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole (CID 134889175) is (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole.
What is the SMILES notation for (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole?
The canonical SMILES for (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole is C[C@@H]1C=C[C@@H]2CO[Si](C)(C)C2C1.
What is the InChIKey of (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole?
The InChIKey is JOKYOATZEUOUPL-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H18OSi/c1-8-4-5-9-7-11-12(2,3)10(9)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole?
(3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole has a molecular weight of 182.34 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S)-1,1,6-trimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole is sourced from PubChem (CID 134889175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).