1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane

C16H28OSi — CID 15091041

IUPAC1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1CCC=C2C=CCCC21
InChIInChI=1S/C16H28OSi/c1-4-18(5-2,6-3)17-16-13-9-11-14-10-7-8-12-15(14)16/h7,10-11,15-16H,4-6,8-9,12-13H2,1-3H3
InChIKeyNBQZRYJQDKGHOF-UHFFFAOYSA-N
MW264.48 g/mol
LogP5.06
Rot. Bonds5

About 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane

1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane (PubChem CID 15091041) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane.

Molecular Properties

Compound Name1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane
PubChem CID15091041
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane
SMILESCC[Si](CC)(CC)OC1CCC=C2C=CCCC21
InChIInChI=1S/C16H28OSi/c1-4-18(5-2,6-3)17-16-13-9-11-14-10-7-8-12-15(14)16/h7,10-11,15-16H,4-6,8-9,12-13H2,1-3H3
InChIKeyNBQZRYJQDKGHOF-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.06
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

Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10848449
triethyl-[(8-methyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-yl)oxy]silane
CID 10869629
[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
tert-butyl-[(1R,5R)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11064929
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane
CID 134983137
[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 134999883
[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane
CID 139250260
[(3aR,4S)-7-ethenyl-2,3,3a,4,5,6-hexahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
CID 162406242

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane?
The IUPAC name of 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane (CID 15091041) is 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane.
What is the SMILES notation for 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane?
The canonical SMILES for 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane is CC[Si](CC)(CC)OC1CCC=C2C=CCCC21.
What is the InChIKey of 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane?
The InChIKey is NBQZRYJQDKGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-4-18(5-2,6-3)17-16-13-9-11-14-10-7-8-12-15(14)16/h7,10-11,15-16H,4-6,8-9,12-13H2,1-3H3.
What are the key properties of 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane?
1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane has a molecular weight of 264.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8,8a-hexahydronaphthalen-1-yloxy(triethyl)silane is sourced from PubChem (CID 15091041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).