(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one

C17H32O2Si — CID 11637955

IUPAC(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one
SMILESCC(C)[C@@H]1CC[C@H](C)[C@]2(CCC(=O)C2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)15-8-7-13(3)17(10-9-14(18)11-17)16(15)19-20(4,5)6/h12-13,15-16H,7-11H2,1-6H3/t13-,15-,16-,17+/m0/s1
InChIKeyIARXSGNLYPYGRM-QSPRXWTASA-N
MW296.53 g/mol
LogP4.65
Rot. Bonds3

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

(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one (PubChem CID 11637955) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one
PubChem CID11637955
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one
SMILESCC(C)[C@@H]1CC[C@H](C)[C@]2(CCC(=O)C2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)15-8-7-13(3)17(10-9-14(18)11-17)16(15)19-20(4,5)6/h12-13,15-16H,7-11H2,1-6H3/t13-,15-,16-,17+/m0/s1
InChIKeyIARXSGNLYPYGRM-QSPRXWTASA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one?
The IUPAC name of (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one (CID 11637955) is (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one.
What is the SMILES notation for (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one?
The canonical SMILES for (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one is CC(C)[C@@H]1CC[C@H](C)[C@]2(CCC(=O)C2)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one?
The InChIKey is IARXSGNLYPYGRM-QSPRXWTASA-N. The full InChI is InChI=1S/C17H32O2Si/c1-12(2)15-8-7-13(3)17(10-9-14(18)11-17)16(15)19-20(4,5)6/h12-13,15-16H,7-11H2,1-6H3/t13-,15-,16-,17+/m0/s1.
What are the key properties of (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one?
(5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one has a molecular weight of 296.53 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,9S,10S)-6-methyl-9-propan-2-yl-10-trimethylsilyloxyspiro[4.5]decan-3-one is sourced from PubChem (CID 11637955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).