2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane

C24H40O4SSi — CID 23652044

IUPAC2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCOC(CC1CCC2(CC1)OCCO2)Sc1ccccc1
InChIInChI=1S/C24H40O4SSi/c1-4-30(5-2,6-3)28-19-16-25-23(29-22-10-8-7-9-11-22)20-21-12-14-24(15-13-21)26-17-18-27-24/h7-11,21,23H,4-6,12-20H2,1-3H3
InChIKeyVXWWIVDRPQZCJR-UHFFFAOYSA-N
MW452.73 g/mol
LogP6.47
Rot. Bonds12

About 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane

2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane (PubChem CID 23652044) has the molecular formula C24H40O4SSi and a molecular weight of 452.73 g/mol. Its IUPAC name is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane.

Molecular Properties

Compound Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane
PubChem CID23652044
Molecular FormulaC24H40O4SSi
Molecular Weight452.73 g/mol
Exact Mass452.24
IUPAC Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCOC(CC1CCC2(CC1)OCCO2)Sc1ccccc1
InChIInChI=1S/C24H40O4SSi/c1-4-30(5-2,6-3)28-19-16-25-23(29-22-10-8-7-9-11-22)20-21-12-14-24(15-13-21)26-17-18-27-24/h7-11,21,23H,4-6,12-20H2,1-3H3
InChIKeyVXWWIVDRPQZCJR-UHFFFAOYSA-N
XLogP6.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane 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

[(4'aS,5'R,8'S,9'Z,10'aS)-5'-(benzenesulfonyl)-7',7',10'a-trimethylspiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8-hexahydro-1H-benzo[8]annulene]-8'-yl]oxy-tert-butyl-dimethylsilane
CID 10602409
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
2-[10-Methoxy-10-(phenylsulfanyl)decyl]-2-methyl-1,3-dioxolane
CID 13215969
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluoro-5-tetradecylnonadec-1-en-2-yl)oxyethoxy]-diphenylsilane
CID 102075531
8-[1-(Benzenesulfonyl)ethyl]-1,4-dioxaspiro[4.5]decane
CID 10924957
9-(3-Phenylsulfanylpropyl)-1,4-dioxaspiro[4.4]nonane
CID 11129631
17'-Phenylsulfanylspiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 11211816
[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane
CID 71490041
2-Methyl-2-[1-methyl-2-(phenylthio)-2-(trimethylsilyl)ethylmorpho-1,3-dioxolane
CID 91699069
Phenyl 9-[2-(trimethylsilyl)ethyl]-1,4-dioxaspiro[4.5]dec-7-en-8-yl sulfone
CID 13213660
Tert-butyl-(6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-yl)oxy-dimethylsilane
CID 68205861
8-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 167321807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane?
The IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane (CID 23652044) is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane.
What is the SMILES notation for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane?
The canonical SMILES for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane is CC[Si](CC)(CC)OCCOC(CC1CCC2(CC1)OCCO2)Sc1ccccc1.
What is the InChIKey of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane?
The InChIKey is VXWWIVDRPQZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4SSi/c1-4-30(5-2,6-3)28-19-16-25-23(29-22-10-8-7-9-11-22)20-21-12-14-24(15-13-21)26-17-18-27-24/h7-11,21,23H,4-6,12-20H2,1-3H3.
What are the key properties of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane?
2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane has a molecular weight of 452.73 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylsulfanylethoxy]ethoxy-triethylsilane is sourced from PubChem (CID 23652044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).