(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one

C18H34GeO2Si — CID 12013197

IUPAC(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2CC(=O)C([Ge](C)(C)C)=C21
InChIInChI=1S/C18H34GeO2Si/c1-18(2,3)22(7,8)21-15-11-9-10-13-12-14(20)17(16(13)15)19(4,5)6/h13,15H,9-12H2,1-8H3/t13-,15+/m0/s1
InChIKeyMVQNWPPZMKMHCU-DZGCQCFKSA-N
MW383.16 g/mol
LogP5.32
Rot. Bonds3

About (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one

(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one (PubChem CID 12013197) has the molecular formula C18H34GeO2Si and a molecular weight of 383.16 g/mol. Its IUPAC name is (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one.

Molecular Properties

Compound Name(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
PubChem CID12013197
Molecular FormulaC18H34GeO2Si
Molecular Weight383.16 g/mol
Exact Mass384.15
IUPAC Name(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2CC(=O)C([Ge](C)(C)C)=C21
InChIInChI=1S/C18H34GeO2Si/c1-18(2,3)22(7,8)21-15-11-9-10-13-12-14(20)17(16(13)15)19(4,5)6/h13,15H,9-12H2,1-8H3/t13-,15+/m0/s1
InChIKeyMVQNWPPZMKMHCU-DZGCQCFKSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.16
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodo-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013199
(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
CID 12013189
(4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11191226
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(3E,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831896
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,3a,6,7,8,9,10a-octahydro-1H-cyclopenta[9]annulene-5,10-dione
CID 10570034
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
9-[tert-butyl(dimethyl)silyl]oxy-2-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71282049
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674

Frequently Asked Questions

What is the IUPAC name of (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one?
The IUPAC name of (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one (CID 12013197) is (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one.
What is the SMILES notation for (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one?
The canonical SMILES for (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2CC(=O)C([Ge](C)(C)C)=C21.
What is the InChIKey of (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one?
The InChIKey is MVQNWPPZMKMHCU-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H34GeO2Si/c1-18(2,3)22(7,8)21-15-11-9-10-13-12-14(20)17(16(13)15)19(4,5)6/h13,15H,9-12H2,1-8H3/t13-,15+/m0/s1.
What are the key properties of (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one?
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one has a molecular weight of 383.16 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one is sourced from PubChem (CID 12013197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).