(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one

C20H36O2Si — CID 25022823

IUPAC(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C(C)C)C=C[C@@H](C)[C@]12CCCC2=O
InChIInChI=1S/C20H36O2Si/c1-7-23(8-2,9-3)22-19-17(15(4)5)13-12-16(6)20(19)14-10-11-18(20)21/h12-13,15-17,19H,7-11,14H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyARUAIFSFIFMFPV-BWPNAZKDSA-N
MW336.59 g/mol
LogP5.59
Rot. Bonds6

About (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one

(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one (PubChem CID 25022823) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one.

Molecular Properties

Compound Name(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
PubChem CID25022823
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C(C)C)C=C[C@@H](C)[C@]12CCCC2=O
InChIInChI=1S/C20H36O2Si/c1-7-23(8-2,9-3)22-19-17(15(4)5)13-12-16(6)20(19)14-10-11-18(20)21/h12-13,15-17,19H,7-11,14H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyARUAIFSFIFMFPV-BWPNAZKDSA-N
XLogP5.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone
CID 5469502
(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 11645038
cis-(2R,4R)-3,3-dimethyl-4-(3-methylbut-2-enyl)-2-[(1R)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]cyclohexan-1-one
CID 11683250
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
(3aS,7R,8S,8aS)-7-propan-2-yl-8-triethylsilyloxy-4-(trimethylsilylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-one
CID 44521475
(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
CID 57413056
(3aS,7R,7aR)-3a-methyl-3-methylidene-7-[tri(propan-2-yl)silyloxymethyl]-1,2,7,7a-tetrahydroinden-4-one
CID 101777851
ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
CID 102275965
(5R,6S,10R)-7-bromo-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 102275966
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
1-[(1S,4S,5R,6S)-4-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-2-yl]-1,3,6-trimethyl-6-bicyclo[3.1.0]hex-2-enyl]propan-1-one
CID 134879361

Frequently Asked Questions

What is the IUPAC name of (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one?
The IUPAC name of (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one (CID 25022823) is (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one.
What is the SMILES notation for (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one?
The canonical SMILES for (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one is CC[Si](CC)(CC)O[C@@H]1[C@H](C(C)C)C=C[C@@H](C)[C@]12CCCC2=O.
What is the InChIKey of (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one?
The InChIKey is ARUAIFSFIFMFPV-BWPNAZKDSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-7-23(8-2,9-3)22-19-17(15(4)5)13-12-16(6)20(19)14-10-11-18(20)21/h12-13,15-17,19H,7-11,14H2,1-6H3/t16-,17+,19-,20+/m1/s1.
What are the key properties of (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one?
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one has a molecular weight of 336.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one is sourced from PubChem (CID 25022823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).