(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione

C20H32O3Si — CID 139039412

IUPAC(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C(=O)CC[C@H]3C(=O)C[C@@H]4CC[C@@H]1[C@]423
InChIInChI=1S/C20H32O3Si/c1-19(2,3)24(4,5)23-18-11-15-16(21)9-8-13-17(22)10-12-6-7-14(18)20(12,13)15/h12-15,18H,6-11H2,1-5H3/t12-,13-,14-,15+,18-,20+/m0/s1
InChIKeyDITGWSZFGOUAOH-LYEDSXFASA-N
MW348.56 g/mol
LogP4.36
Rot. Bonds2

About (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione

(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione (PubChem CID 139039412) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione.

Molecular Properties

Compound Name(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione
PubChem CID139039412
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C(=O)CC[C@H]3C(=O)C[C@@H]4CC[C@@H]1[C@]423
InChIInChI=1S/C20H32O3Si/c1-19(2,3)24(4,5)23-18-11-15-16(21)9-8-13-17(22)10-12-6-7-14(18)20(12,13)15/h12-15,18H,6-11H2,1-5H3/t12-,13-,14-,15+,18-,20+/m0/s1
InChIKeyDITGWSZFGOUAOH-LYEDSXFASA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione?
The IUPAC name of (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione (CID 139039412) is (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione.
What is the SMILES notation for (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione?
The canonical SMILES for (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C(=O)CC[C@H]3C(=O)C[C@@H]4CC[C@@H]1[C@]423.
What is the InChIKey of (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione?
The InChIKey is DITGWSZFGOUAOH-LYEDSXFASA-N. The full InChI is InChI=1S/C20H32O3Si/c1-19(2,3)24(4,5)23-18-11-15-16(21)9-8-13-17(22)10-12-6-7-14(18)20(12,13)15/h12-15,18H,6-11H2,1-5H3/t12-,13-,14-,15+,18-,20+/m0/s1.
What are the key properties of (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione?
(1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione has a molecular weight of 348.56 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8S,10S,11R,14S)-10-[tert-butyl(dimethyl)silyl]oxytetracyclo[6.5.1.04,14.011,14]tetradecane-3,7-dione is sourced from PubChem (CID 139039412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).