(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one

C13H22O2Si — CID 174092657

IUPAC(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESC[Si](C)(C)OC12CCCC[C@H]1C=CC(=O)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-9-5-4-6-11(13)7-8-12(14)10-13/h7-8,11H,4-6,9-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyYJHAVOQLIFNBJQ-AMGKYWFPSA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds2

About (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one

(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one (PubChem CID 174092657) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
PubChem CID174092657
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESC[Si](C)(C)OC12CCCC[C@H]1C=CC(=O)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-9-5-4-6-11(13)7-8-12(14)10-13/h7-8,11H,4-6,9-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyYJHAVOQLIFNBJQ-AMGKYWFPSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The IUPAC name of (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one (CID 174092657) is (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one.
What is the SMILES notation for (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The canonical SMILES for (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one is C[Si](C)(C)OC12CCCC[C@H]1C=CC(=O)C2.
What is the InChIKey of (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The InChIKey is YJHAVOQLIFNBJQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)15-13-9-5-4-6-11(13)7-8-12(14)10-13/h7-8,11H,4-6,9-10H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
(4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one has a molecular weight of 238.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-8a-trimethylsilyloxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one is sourced from PubChem (CID 174092657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).