2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline

C11H18OSi — CID 134855646

IUPAC2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline
SMILESCC12CCC=CC1=CC[Si](C)(C)O2
InChIInChI=1S/C11H18OSi/c1-11-8-5-4-6-10(11)7-9-13(2,3)12-11/h4,6-7H,5,8-9H2,1-3H3
InChIKeyIBTDPTWUCYSCCY-UHFFFAOYSA-N
MW194.35 g/mol
LogP3.26
Rot. Bonds

About 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline

2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline (PubChem CID 134855646) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline.

Molecular Properties

Compound Name2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline
PubChem CID134855646
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline
SMILESCC12CCC=CC1=CC[Si](C)(C)O2
InChIInChI=1S/C11H18OSi/c1-11-8-5-4-6-10(11)7-9-13(2,3)12-11/h4,6-7H,5,8-9H2,1-3H3
InChIKeyIBTDPTWUCYSCCY-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Tert-butyl-(3-ethenyl-1-methylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 101021222
Triethyl(2,3,4,5-tetrahydroinden-3a-yloxy)silane
CID 10729387
(1-Butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
CID 70397008
[1-(Cyclopenta-1,4-dien-1-ylmethyl)-2,4-dimethylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane;titanium(3+);dichloride
CID 87976112
6-Cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane
CID 174248793
Triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane
CID 10804358
(7,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-yl)oxy-triethylsilane
CID 11066274
Triethyl-[(7-methyl-2,3,4,5-tetrahydroinden-3a-yl)oxy]silane
CID 11086661
5-Ethenyl-2,2-dimethyl-1-oxa-2-silaspiro[5.5]undec-4-ene
CID 11345090
(8R)-5-ethenyl-2,2,11-trimethyl-8-prop-1-en-2-yl-1-oxa-2-silaspiro[5.5]undeca-4,10-diene
CID 12112762

Frequently Asked Questions

What is the IUPAC name of 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline?
The IUPAC name of 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline (CID 134855646) is 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline.
What is the SMILES notation for 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline?
The canonical SMILES for 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline is CC12CCC=CC1=CC[Si](C)(C)O2.
What is the InChIKey of 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline?
The InChIKey is IBTDPTWUCYSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi/c1-11-8-5-4-6-10(11)7-9-13(2,3)12-11/h4,6-7H,5,8-9H2,1-3H3.
What are the key properties of 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline?
2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline has a molecular weight of 194.35 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline is sourced from PubChem (CID 134855646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).