(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one

C15H24O3Si — CID 177416672

IUPAC(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one
SMILESCC12CC3([Si](C)(C)C)C(C(=O)O1)[C@]1(CCCC[C@@H]31)O2
InChIInChI=1S/C15H24O3Si/c1-13-9-15(19(2,3)4)10-7-5-6-8-14(10,18-13)11(15)12(16)17-13/h10-11H,5-9H2,1-4H3/t10-,11?,13?,14-,15?/m1/s1
InChIKeyNRSMGNLIWVSDIR-WQJRTYQASA-N
MW280.44 g/mol
LogP3.32
Rot. Bonds1

About (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one

(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one (PubChem CID 177416672) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one.

Molecular Properties

Compound Name(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one
PubChem CID177416672
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one
SMILESCC12CC3([Si](C)(C)C)C(C(=O)O1)[C@]1(CCCC[C@@H]31)O2
InChIInChI=1S/C15H24O3Si/c1-13-9-15(19(2,3)4)10-7-5-6-8-14(10,18-13)11(15)12(16)17-13/h10-11H,5-9H2,1-4H3/t10-,11?,13?,14-,15?/m1/s1
InChIKeyNRSMGNLIWVSDIR-WQJRTYQASA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one?
The IUPAC name of (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one (CID 177416672) is (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one.
What is the SMILES notation for (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one?
The canonical SMILES for (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one is CC12CC3([Si](C)(C)C)C(C(=O)O1)[C@]1(CCCC[C@@H]31)O2.
What is the InChIKey of (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one?
The InChIKey is NRSMGNLIWVSDIR-WQJRTYQASA-N. The full InChI is InChI=1S/C15H24O3Si/c1-13-9-15(19(2,3)4)10-7-5-6-8-14(10,18-13)11(15)12(16)17-13/h10-11H,5-9H2,1-4H3/t10-,11?,13?,14-,15?/m1/s1.
What are the key properties of (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one?
(1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one has a molecular weight of 280.44 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,12S)-9-methyl-7-trimethylsilyl-10,13-dioxatetracyclo[7.3.1.01,6.07,12]tridecan-11-one is sourced from PubChem (CID 177416672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).