[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane

C17H28OSi — CID 10891131

IUPAC[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C=CC=C[C@@H]1C=CCC2
InChIInChI=1S/C17H28OSi/c1-16(2,3)19(4,5)18-14-17-12-8-6-10-15(17)11-7-9-13-17/h6-8,10-12,15H,9,13-14H2,1-5H3/t15-,17+/m1/s1
InChIKeyGBLOHMJLMWOOIG-WBVHZDCISA-N
MW276.50 g/mol
LogP5.09
Rot. Bonds3

About [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane

[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10891131) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10891131
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C=CC=C[C@@H]1C=CCC2
InChIInChI=1S/C17H28OSi/c1-16(2,3)19(4,5)18-14-17-12-8-6-10-15(17)11-7-9-13-17/h6-8,10-12,15H,9,13-14H2,1-5H3/t15-,17+/m1/s1
InChIKeyGBLOHMJLMWOOIG-WBVHZDCISA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.09
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

Tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400087
t-Butyldimethyl{[(1r,2r,6r)-2-methyl-6-vinylcyclohex-3-en-1-yl]methoxy}silane
CID 129758377
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103
2-[(6-Cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
CID 70980503
3,3-Di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
CID 86212938
3,3-Di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane
CID 86213014
3-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane
CID 156778947
2,3-Dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane
CID 164987021
(6-Tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane
CID 173335751
tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
CID 10667905
[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11186295
1,2,3,7,8,8a-Hexahydronaphthalen-1-yloxy(triethyl)silane
CID 15091041

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane (CID 10891131) is [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@]12C=CC=C[C@@H]1C=CCC2.
What is the InChIKey of [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GBLOHMJLMWOOIG-WBVHZDCISA-N. The full InChI is InChI=1S/C17H28OSi/c1-16(2,3)19(4,5)18-14-17-12-8-6-10-15(17)11-7-9-13-17/h6-8,10-12,15H,9,13-14H2,1-5H3/t15-,17+/m1/s1.
What are the key properties of [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane?
[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).