(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one

C16H26O3Si — CID 24808689

IUPAC(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one
SMILESC=C1C[C@@]2(COCOCC[Si](C)(C)C)C=CC(=O)[C@@H]1C2
InChIInChI=1S/C16H26O3Si/c1-13-9-16(6-5-15(17)14(13)10-16)11-19-12-18-7-8-20(2,3)4/h5-6,14H,1,7-12H2,2-4H3/t14-,16+/m1/s1
InChIKeySUSORPGRWUVZFQ-ZBFHGGJFSA-N
MW294.47 g/mol
LogP3.41
Rot. Bonds7

About (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one

(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one (PubChem CID 24808689) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one
PubChem CID24808689
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one
SMILESC=C1C[C@@]2(COCOCC[Si](C)(C)C)C=CC(=O)[C@@H]1C2
InChIInChI=1S/C16H26O3Si/c1-13-9-16(6-5-15(17)14(13)10-16)11-19-12-18-7-8-20(2,3)4/h5-6,14H,1,7-12H2,2-4H3/t14-,16+/m1/s1
InChIKeySUSORPGRWUVZFQ-ZBFHGGJFSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-5-[2-(methoxymethoxy)ethyl]-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 10955156
4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one
CID 10780174
(1R,5R)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 10878364
(1R,5S)-5-(methoxymethoxymethyl)-1-methyl-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 10922099
(1R,5S)-5-[2-(methoxymethoxy)ethyl]-7-methyl-1-prop-2-enylbicyclo[3.2.1]octa-3,6-dien-2-one
CID 11032694
(1R,5R)-5-[2-(methoxymethoxy)ethyl]-1-methyl-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 11042739
(1R,5R)-5-[2-(methoxymethoxy)ethyl]-7-methylidene-1-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
CID 11807489
(1S,7AS)-7A-Methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}-1,2,3,6,7,7A-hexahydro-5H-inden-5-one
CID 14585779
(1S,5R)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101145182
(1R,5S)-5-[2-(methoxymethoxy)ethyl]-1-methyl-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101188380
(1R,5R)-5-(methoxymethoxymethyl)-1-methyl-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101188381
(1R,5S)-5-[2-(methoxymethoxy)ethyl]-7-methylidene-1-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
CID 101188382

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one (CID 24808689) is (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one is C=C1C[C@@]2(COCOCC[Si](C)(C)C)C=CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is SUSORPGRWUVZFQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-13-9-16(6-5-15(17)14(13)10-16)11-19-12-18-7-8-20(2,3)4/h5-6,14H,1,7-12H2,2-4H3/t14-,16+/m1/s1.
What are the key properties of (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one?
(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 294.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 24808689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).