(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one

C21H40O2Si — CID 135014472

IUPAC(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C(C)C)CC[C@H](C)[C@@]12CCC(C)C2=O
InChIInChI=1S/C21H40O2Si/c1-8-24(9-2,10-3)23-20-18(15(4)5)12-11-17(7)21(20)14-13-16(6)19(21)22/h15-18,20H,8-14H2,1-7H3/t16?,17-,18+,20-,21+/m0/s1
InChIKeyVGXMDUFEDKBSPE-HRMWUGKZSA-N
MW352.64 g/mol
LogP6.06
Rot. Bonds6

About (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one

(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one (PubChem CID 135014472) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
PubChem CID135014472
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C(C)C)CC[C@H](C)[C@@]12CCC(C)C2=O
InChIInChI=1S/C21H40O2Si/c1-8-24(9-2,10-3)23-20-18(15(4)5)12-11-17(7)21(20)14-13-16(6)19(21)22/h15-18,20H,8-14H2,1-7H3/t16?,17-,18+,20-,21+/m0/s1
InChIKeyVGXMDUFEDKBSPE-HRMWUGKZSA-N
XLogP6.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-2-[(1R,3aR,4S,7aR)-4-(tert-butyl-dimethylsilanyloxy)-7a-methyl-octahydro-inden-1-yl]-propan-1-al
CID 10853465
3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone
CID 496447
(2S)-2-[(1R,3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 10687463
(1R,3aR,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11174748
(1R,3aR,7aR)-7a-methyl-1-[(2R,5R)-6-methyl-5-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 156904489
1-((1S,3AR,4S,7AS)-7A-Methyl-4-((triethylsilyl)oxy)octahydro-1H-inden-1-YL)ethan-1-one
CID 10543019
(1R,3aR,7aR)-1-[(2S,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 49857312
(1R,3aR,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58907925
(3S)-3-[(1R,3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanal
CID 89068573
(5R)-7-[(1S,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]-5-methylheptan-2-one
CID 11257930
(5R,6R,9S,10R)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 25022876
(6R)-6-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3-trimethylsilylheptan-2-one
CID 134874966

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The IUPAC name of (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one (CID 135014472) is (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one.
What is the SMILES notation for (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The canonical SMILES for (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one is CC[Si](CC)(CC)O[C@H]1[C@@H](C(C)C)CC[C@H](C)[C@@]12CCC(C)C2=O.
What is the InChIKey of (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The InChIKey is VGXMDUFEDKBSPE-HRMWUGKZSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-8-24(9-2,10-3)23-20-18(15(4)5)12-11-17(7)21(20)14-13-16(6)19(21)22/h15-18,20H,8-14H2,1-7H3/t16?,17-,18+,20-,21+/m0/s1.
What are the key properties of (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one has a molecular weight of 352.64 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one is sourced from PubChem (CID 135014472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).