1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline

C10H18OSi — CID 134889240

IUPAC1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
SMILESC[Si]1(C)OCCC2C=CCCC21
InChIInChI=1S/C10H18OSi/c1-12(2)10-6-4-3-5-9(10)7-8-11-12/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeySCTRWPNAVZRKKC-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.95
Rot. Bonds

About 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline

1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline (PubChem CID 134889240) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline.

Molecular Properties

Compound Name1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
PubChem CID134889240
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
SMILESC[Si]1(C)OCCC2C=CCCC21
InChIInChI=1S/C10H18OSi/c1-12(2)10-6-4-3-5-9(10)7-8-11-12/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeySCTRWPNAVZRKKC-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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
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-[(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
(4aS,7S)-7-tert-butyl-1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889310
(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889402
1,1-dimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134900840
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
(S,Z)-tert-butyldimethyl((3-methyloct-6-en-1-yl)oxy)silane
CID 162624079

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The IUPAC name of 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline (CID 134889240) is 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline.
What is the SMILES notation for 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The canonical SMILES for 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline is C[Si]1(C)OCCC2C=CCCC21.
What is the InChIKey of 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
The InChIKey is SCTRWPNAVZRKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-12(2)10-6-4-3-5-9(10)7-8-11-12/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline?
1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline has a molecular weight of 182.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline is sourced from PubChem (CID 134889240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).