(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one

C15H24O2Si — CID 10539583

IUPAC(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESC[C@]12CC[C@@H]3C[C@@H]1C=CC[C@@]2(O[Si](C)(C)C)C3=O
InChIInChI=1S/C15H24O2Si/c1-14-9-7-11-10-12(14)6-5-8-15(14,13(11)16)17-18(2,3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+,14+,15-/m1/s1
InChIKeyYMBPPESUNYVAQX-PAPYEOQZSA-N
MW264.44 g/mol
LogP3.54
Rot. Bonds2

About (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one

(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one (PubChem CID 10539583) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one.

Molecular Properties

Compound Name(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one
PubChem CID10539583
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one
SMILESC[C@]12CC[C@@H]3C[C@@H]1C=CC[C@@]2(O[Si](C)(C)C)C3=O
InChIInChI=1S/C15H24O2Si/c1-14-9-7-11-10-12(14)6-5-8-15(14,13(11)16)17-18(2,3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+,14+,15-/m1/s1
InChIKeyYMBPPESUNYVAQX-PAPYEOQZSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one?
The IUPAC name of (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one (CID 10539583) is (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one.
What is the SMILES notation for (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one?
The canonical SMILES for (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one is C[C@]12CC[C@@H]3C[C@@H]1C=CC[C@@]2(O[Si](C)(C)C)C3=O.
What is the InChIKey of (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one?
The InChIKey is YMBPPESUNYVAQX-PAPYEOQZSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-14-9-7-11-10-12(14)6-5-8-15(14,13(11)16)17-18(2,3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+,14+,15-/m1/s1.
What are the key properties of (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one?
(1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one has a molecular weight of 264.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,8S)-8-methyl-3-trimethylsilyloxytricyclo[5.3.1.03,8]undec-5-en-2-one is sourced from PubChem (CID 10539583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).