(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one

C26H34O3Si — CID 132558696

IUPAC(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)CCC[C@H]1CC(=O)CC12OCC(c1ccccc1)(c1ccccc1)CO2
InChIInChI=1S/C26H34O3Si/c1-30(2,3)16-10-15-23-17-24(27)18-26(23)28-19-25(20-29-26,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23H,10,15-20H2,1-3H3/t23-/m0/s1
InChIKeyIBZVKBBWCNOZJR-QHCPKHFHSA-N
MW422.64 g/mol
LogP5.81
Rot. Bonds6

About (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one

(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one (PubChem CID 132558696) has the molecular formula C26H34O3Si and a molecular weight of 422.64 g/mol. Its IUPAC name is (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one
PubChem CID132558696
Molecular FormulaC26H34O3Si
Molecular Weight422.64 g/mol
Exact Mass422.23
IUPAC Name(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)CCC[C@H]1CC(=O)CC12OCC(c1ccccc1)(c1ccccc1)CO2
InChIInChI=1S/C26H34O3Si/c1-30(2,3)16-10-15-23-17-24(27)18-26(23)28-19-25(20-29-26,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23H,10,15-20H2,1-3H3/t23-/m0/s1
InChIKeyIBZVKBBWCNOZJR-QHCPKHFHSA-N
XLogP5.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one (CID 132558696) is (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one is C[Si](C)(C)CCC[C@H]1CC(=O)CC12OCC(c1ccccc1)(c1ccccc1)CO2.
What is the InChIKey of (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one?
The InChIKey is IBZVKBBWCNOZJR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34O3Si/c1-30(2,3)16-10-15-23-17-24(27)18-26(23)28-19-25(20-29-26,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23H,10,15-20H2,1-3H3/t23-/m0/s1.
What are the key properties of (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one?
(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one has a molecular weight of 422.64 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 132558696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).