(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one

C15H24O2Si — CID 135041705

IUPAC(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one
SMILESCOC=C1CC=C[C@@H]([Si](C)(C)C)[C@]12CCCC2=O
InChIInChI=1S/C15H24O2Si/c1-17-11-12-7-5-9-14(18(2,3)4)15(12)10-6-8-13(15)16/h5,9,11,14H,6-8,10H2,1-4H3/t14-,15-/m1/s1
InChIKeyMPYCSFBNJINNCY-HUUCEWRRSA-N
MW264.44 g/mol
LogP3.92
Rot. Bonds2

About (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one

(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one (PubChem CID 135041705) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one.

Molecular Properties

Compound Name(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one
PubChem CID135041705
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one
SMILESCOC=C1CC=C[C@@H]([Si](C)(C)C)[C@]12CCCC2=O
InChIInChI=1S/C15H24O2Si/c1-17-11-12-7-5-9-14(18(2,3)4)15(12)10-6-8-13(15)16/h5,9,11,14H,6-8,10H2,1-4H3/t14-,15-/m1/s1
InChIKeyMPYCSFBNJINNCY-HUUCEWRRSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one?
The IUPAC name of (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one (CID 135041705) is (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one.
What is the SMILES notation for (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one?
The canonical SMILES for (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one is COC=C1CC=C[C@@H]([Si](C)(C)C)[C@]12CCCC2=O.
What is the InChIKey of (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one?
The InChIKey is MPYCSFBNJINNCY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-17-11-12-7-5-9-14(18(2,3)4)15(12)10-6-8-13(15)16/h5,9,11,14H,6-8,10H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one?
(5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one has a molecular weight of 264.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-10-(methoxymethylidene)-6-trimethylsilylspiro[4.5]dec-7-en-4-one is sourced from PubChem (CID 135041705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).