8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one

C21H40O4Si — CID 162497677

IUPAC8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC(CCC1(C)CCC2(OCCO2)C(C)(C)C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-16(25-26(8,9)18(2,3)4)10-11-20(7)12-13-21(23-14-15-24-21)19(5,6)17(20)22/h16H,10-15H2,1-9H3
InChIKeyAKCBSGVVFVDYFV-UHFFFAOYSA-N
MW384.63 g/mol
LogP5.32
Rot. Bonds5

About 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one

8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 162497677) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID162497677
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC(CCC1(C)CCC2(OCCO2)C(C)(C)C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-16(25-26(8,9)18(2,3)4)10-11-20(7)12-13-21(23-14-15-24-21)19(5,6)17(20)22/h16H,10-15H2,1-9H3
InChIKeyAKCBSGVVFVDYFV-UHFFFAOYSA-N
XLogP5.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one (CID 162497677) is 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one is CC(CCC1(C)CCC2(OCCO2)C(C)(C)C1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is AKCBSGVVFVDYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-16(25-26(8,9)18(2,3)4)10-11-20(7)12-13-21(23-14-15-24-21)19(5,6)17(20)22/h16H,10-15H2,1-9H3.
What are the key properties of 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one?
8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 384.63 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 162497677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).