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

C20H38O2Si — CID 135019404

IUPAC(5R,6R,9S,10R)-6-methyl-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@]12CCCC2=O
InChIInChI=1S/C20H38O2Si/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/h15-17,19H,7-14H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyDMERUFCRWAJXMK-BWPNAZKDSA-N
MW338.61 g/mol
LogP5.82
Rot. Bonds6

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

(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one (PubChem CID 135019404) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
PubChem CID135019404
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(5R,6R,9S,10R)-6-methyl-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@]12CCCC2=O
InChIInChI=1S/C20H38O2Si/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/h15-17,19H,7-14H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyDMERUFCRWAJXMK-BWPNAZKDSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one
CID 131857455
(6R,10R)-10-ethyl-6-methylspiro[4.5]decan-4-one
CID 69350579
(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde
CID 101124708
(1R,5S,6S,7S,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 102420515
(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 135016246
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531
(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one
CID 131857457
(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
CID 15895657
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
CID 10998243
1-ethyl-6-methyl-5-propan-2-ylpiperidin-2-one
CID 130280330
(4S,5R,9S)-4,9-bis(triethylsilyloxy)-1-oxaspiro[4.4]nonan-2-one
CID 71362585

Frequently Asked Questions

What is the IUPAC name of (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The IUPAC name of (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one (CID 135019404) is (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The canonical SMILES for (5R,6R,9S,10R)-6-methyl-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@]12CCCC2=O.
What is the InChIKey of (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
The InChIKey is DMERUFCRWAJXMK-BWPNAZKDSA-N. The full InChI is InChI=1S/C20H38O2Si/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/h15-17,19H,7-14H2,1-6H3/t16-,17+,19-,20+/m1/s1.
What are the key properties of (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one?
(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one has a molecular weight of 338.61 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one is sourced from PubChem (CID 135019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).