(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one

C22H42O2Si — CID 154716088

IUPAC(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one
SMILESCCO[C@H]1CC(=O)C2(CCCC2)[C@@H](C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C22H42O2Si/c1-8-24-20-13-19(22(21(23)14-20)11-9-10-12-22)15-25(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3/t19-,20-/m1/s1
InChIKeyDOEWLDMWQKBNNB-WOJBJXKFSA-N
MW366.66 g/mol
LogP6.61
Rot. Bonds7

About (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one

(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one (PubChem CID 154716088) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one.

Molecular Properties

Compound Name(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one
PubChem CID154716088
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one
SMILESCCO[C@H]1CC(=O)C2(CCCC2)[C@@H](C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C22H42O2Si/c1-8-24-20-13-19(22(21(23)14-20)11-9-10-12-22)15-25(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3/t19-,20-/m1/s1
InChIKeyDOEWLDMWQKBNNB-WOJBJXKFSA-N
XLogP6.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,6R,9S,10R)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 25022876
trans-(3S,5R)-5-ethoxy-2,2-diethyl-3-[tri(propan-2-yl)silylmethyl]cyclohexan-1-one
CID 44249568
ethyl (3aS,4R,6S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a,4-dimethyl-3-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-2-carboxylate
CID 56956398
(3aR,5S,7R,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 56958737
(5S,6S,9R,10S)-3,6-dimethyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 135014472
(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 135019404
trans-(3S,5R)-5-ethoxy-2,2-dimethyl-3-[tri(propan-2-yl)silylmethyl]cyclohexan-1-one
CID 154716086
(1S,3R)-3-ethoxy-1-[tri(propan-2-yl)silylmethyl]spiro[5.5]undecan-5-one
CID 154716089
trans-(3S,5R)-5-ethoxy-2,2-diethyl-3-(trimethylsilylmethyl)cyclohexan-1-one
CID 154721852
trans-(3S,5S)-3-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15356455
8-[Tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
CID 161256260
cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15356451

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one?
The IUPAC name of (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one (CID 154716088) is (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one.
What is the SMILES notation for (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one?
The canonical SMILES for (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one is CCO[C@H]1CC(=O)C2(CCCC2)[C@@H](C[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one?
The InChIKey is DOEWLDMWQKBNNB-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-8-24-20-13-19(22(21(23)14-20)11-9-10-12-22)15-25(16(2)3,17(4)5)18(6)7/h16-20H,8-15H2,1-7H3/t19-,20-/m1/s1.
What are the key properties of (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one?
(6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one has a molecular weight of 366.66 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-8-ethoxy-6-[tri(propan-2-yl)silylmethyl]spiro[4.5]decan-10-one is sourced from PubChem (CID 154716088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).