(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one

C19H36GeO2Si — CID 12013189

IUPAC(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
SMILESCC1(C)C[C@H]2CC(=O)C([Ge](C)(C)C)=C2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36GeO2Si/c1-18(2,3)23(9,10)22-17-15-13(12-19(17,4)5)11-14(21)16(15)20(6,7)8/h13,17H,11-12H2,1-10H3/t13-,17+/m1/s1
InChIKeyJVCOSDSQVDRWRE-DYVFJYSZSA-N
MW397.19 g/mol
LogP5.57
Rot. Bonds3

About (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one

(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one (PubChem CID 12013189) has the molecular formula C19H36GeO2Si and a molecular weight of 397.19 g/mol. Its IUPAC name is (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one.

Molecular Properties

Compound Name(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
PubChem CID12013189
Molecular FormulaC19H36GeO2Si
Molecular Weight397.19 g/mol
Exact Mass398.17
IUPAC Name(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
SMILESCC1(C)C[C@H]2CC(=O)C([Ge](C)(C)C)=C2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36GeO2Si/c1-18(2,3)23(9,10)22-17-15-13(12-19(17,4)5)11-14(21)16(15)20(6,7)8/h13,17H,11-12H2,1-10H3/t13-,17+/m1/s1
InChIKeyJVCOSDSQVDRWRE-DYVFJYSZSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.19
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013197
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
(4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11191226
3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
CID 69203284
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodo-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013199
tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 102246926
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
(4S,6S,7aS)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3-trimethylsilyl-4,5,7,7a-tetrahydro-1H-inden-2-one
CID 101112145
methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
CID 134835259
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3,4-dihydropyran-6-carbaldehyde
CID 10588142
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394

Frequently Asked Questions

What is the IUPAC name of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one?
The IUPAC name of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one (CID 12013189) is (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one.
What is the SMILES notation for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one?
The canonical SMILES for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one is CC1(C)C[C@H]2CC(=O)C([Ge](C)(C)C)=C2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one?
The InChIKey is JVCOSDSQVDRWRE-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H36GeO2Si/c1-18(2,3)23(9,10)22-17-15-13(12-19(17,4)5)11-14(21)16(15)20(6,7)8/h13,17H,11-12H2,1-10H3/t13-,17+/m1/s1.
What are the key properties of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one?
(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one has a molecular weight of 397.19 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one is sourced from PubChem (CID 12013189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).