(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol

C16H26O3Si — CID 101413555

IUPAC(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
SMILESCO[C@@]12CC(C)=C[C@]3(CO1)[C@H](O)C/C(=C\[Si](C)(C)C)[C@@H]23
InChIInChI=1S/C16H26O3Si/c1-11-7-15-10-19-16(8-11,18-2)14(15)12(6-13(15)17)9-20(3,4)5/h7,9,13-14,17H,6,8,10H2,1-5H3/b12-9+/t13-,14-,15+,16+/m1/s1
InChIKeyHZCZOPZWQWPAPC-OSUIPTSTSA-N
MW294.47 g/mol
LogP2.88
Rot. Bonds2

About (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol

(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol (PubChem CID 101413555) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
PubChem CID101413555
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
SMILESCO[C@@]12CC(C)=C[C@]3(CO1)[C@H](O)C/C(=C\[Si](C)(C)C)[C@@H]23
InChIInChI=1S/C16H26O3Si/c1-11-7-15-10-19-16(8-11,18-2)14(15)12(6-13(15)17)9-20(3,4)5/h7,9,13-14,17H,6,8,10H2,1-5H3/b12-9+/t13-,14-,15+,16+/m1/s1
InChIKeyHZCZOPZWQWPAPC-OSUIPTSTSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The IUPAC name of (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol (CID 101413555) is (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol.
What is the SMILES notation for (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The canonical SMILES for (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol is CO[C@@]12CC(C)=C[C@]3(CO1)[C@H](O)C/C(=C\[Si](C)(C)C)[C@@H]23.
What is the InChIKey of (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The InChIKey is HZCZOPZWQWPAPC-OSUIPTSTSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-11-7-15-10-19-16(8-11,18-2)14(15)12(6-13(15)17)9-20(3,4)5/h7,9,13-14,17H,6,8,10H2,1-5H3/b12-9+/t13-,14-,15+,16+/m1/s1.
What are the key properties of (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
(1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol has a molecular weight of 294.47 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4E,5S,6S)-6-methoxy-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol is sourced from PubChem (CID 101413555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).