(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C12H20GeO2 — CID 134979179

IUPAC(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)[C@@]2([Ge](C)(C)C)C=C[C@@H]1O2
InChIInChI=1S/C12H20GeO2/c1-8-10-6-7-12(15-10,13(3,4)5)9(2)11(8)14/h6-10H,1-5H3/t8?,9?,10-,12+/m0/s1
InChIKeyQOOPUFRGHMHBAT-ILDFIYDHSA-N
MW268.90 g/mol
LogP2.41
Rot. Bonds1

About (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 134979179) has the molecular formula C12H20GeO2 and a molecular weight of 268.90 g/mol. Its IUPAC name is (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID134979179
Molecular FormulaC12H20GeO2
Molecular Weight268.90 g/mol
Exact Mass270.07
IUPAC Name(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)[C@@]2([Ge](C)(C)C)C=C[C@@H]1O2
InChIInChI=1S/C12H20GeO2/c1-8-10-6-7-12(15-10,13(3,4)5)9(2)11(8)14/h6-10H,1-5H3/t8?,9?,10-,12+/m0/s1
InChIKeyQOOPUFRGHMHBAT-ILDFIYDHSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.90
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

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Related Compounds

8-Oxabicyclo[3.2.1]oct-6-en-3-one
CID 557672
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dimethyl-
CID 557211
(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 2755133
(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 5325223
rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
CID 6915682
(1S,5R)-1-but-3-enyl-7-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10750272
2-Bromo-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 74026456
(1S,5R)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 131139994
(1S,2R,4R,5S)-2,4-dimethyl-1-methylsulfanyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134936719
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)propan-1-one
CID 14091335
1-[(1R, 2S)-2-Methoxycyclohex-3-en-1-yl]-propan-1-one
CID 57847649
(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 10080769

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 134979179) is (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC1C(=O)C(C)[C@@]2([Ge](C)(C)C)C=C[C@@H]1O2.
What is the InChIKey of (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is QOOPUFRGHMHBAT-ILDFIYDHSA-N. The full InChI is InChI=1S/C12H20GeO2/c1-8-10-6-7-12(15-10,13(3,4)5)9(2)11(8)14/h6-10H,1-5H3/t8?,9?,10-,12+/m0/s1.
What are the key properties of (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 268.90 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2,4-dimethyl-1-trimethylgermyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 134979179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).