[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

C15H28OSi — CID 134901464

IUPAC[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[C@@H]1CCC[C@H]2CC(O[Si](C)(C)C)=CC[C@]21C
InChIInChI=1S/C15H28OSi/c1-12-7-6-8-13-11-14(16-17(3,4)5)9-10-15(12,13)2/h9,12-13H,6-8,10-11H2,1-5H3/t12-,13+,15+/m1/s1
InChIKeyWKQVOGHBWUGTCK-IPYPFGDCSA-N
MW252.47 g/mol
LogP4.96
Rot. Bonds2

About [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (PubChem CID 134901464) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
PubChem CID134901464
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[C@@H]1CCC[C@H]2CC(O[Si](C)(C)C)=CC[C@]21C
InChIInChI=1S/C15H28OSi/c1-12-7-6-8-13-11-14(16-17(3,4)5)9-10-15(12,13)2/h9,12-13H,6-8,10-11H2,1-5H3/t12-,13+,15+/m1/s1
InChIKeyWKQVOGHBWUGTCK-IPYPFGDCSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.96
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

Trimethyl-(3-methyl-3-propylcyclohexen-1-yl)oxysilane
CID 13683352
lithium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-olate
CID 134889587
sodium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-olate
CID 134889624
potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
CID 134889666
8a-Methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile
CID 134892231
[(6R)-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134906626
[(3S,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922475
[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922490
3,4,4a,5,6,7,8,8a-Octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 134969130
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
lithium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
CID 135050129
sodium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
CID 135050180

Frequently Asked Questions

What is the IUPAC name of [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (CID 134901464) is [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is C[C@@H]1CCC[C@H]2CC(O[Si](C)(C)C)=CC[C@]21C.
What is the InChIKey of [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The InChIKey is WKQVOGHBWUGTCK-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H28OSi/c1-12-7-6-8-13-11-14(16-17(3,4)5)9-10-15(12,13)2/h9,12-13H,6-8,10-11H2,1-5H3/t12-,13+,15+/m1/s1.
What are the key properties of [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 134901464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).