(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane

C17H32OSi — CID 67903060

IUPAC(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane
SMILESCC1CC(O[Si](C)(C)C)=C2C(C)(C)CCCC2(C)C1
InChIInChI=1S/C17H32OSi/c1-13-11-14(18-19(5,6)7)15-16(2,3)9-8-10-17(15,4)12-13/h13H,8-12H2,1-7H3
InChIKeyUPCHYPHGZJGTEE-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.74
Rot. Bonds2

About (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane

(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane (PubChem CID 67903060) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane
PubChem CID67903060
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane
SMILESCC1CC(O[Si](C)(C)C)=C2C(C)(C)CCCC2(C)C1
InChIInChI=1S/C17H32OSi/c1-13-11-14(18-19(5,6)7)15-16(2,3)9-8-10-17(15,4)12-13/h13H,8-12H2,1-7H3
InChIKeyUPCHYPHGZJGTEE-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane?
The IUPAC name of (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane (CID 67903060) is (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane is CC1CC(O[Si](C)(C)C)=C2C(C)(C)CCCC2(C)C1.
What is the InChIKey of (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane?
The InChIKey is UPCHYPHGZJGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13-11-14(18-19(5,6)7)15-16(2,3)9-8-10-17(15,4)12-13/h13H,8-12H2,1-7H3.
What are the key properties of (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane?
(3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4a,8,8-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 67903060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).