(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one

C13H24O2Si — CID 11436414

IUPAC(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(2)9-7-8-13(12,3)11(14)10(9)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-,13+/m1/s1
InChIKeyAPICZQDFMWCGSW-BREBYQMCSA-N
MW240.42 g/mol
LogP3.23
Rot. Bonds2

About (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one

(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one (PubChem CID 11436414) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
PubChem CID11436414
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(2)9-7-8-13(12,3)11(14)10(9)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-,13+/m1/s1
InChIKeyAPICZQDFMWCGSW-BREBYQMCSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.23
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 (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one (CID 11436414) is (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one is CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2O[Si](C)(C)C.
What is the InChIKey of (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
The InChIKey is APICZQDFMWCGSW-BREBYQMCSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(2)9-7-8-13(12,3)11(14)10(9)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-,13+/m1/s1.
What are the key properties of (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one?
(1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one has a molecular weight of 240.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-1,7,7-trimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 11436414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).