7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane

C17H24O2S — CID 11130119

IUPAC7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(Sc1ccccc1)C1CCCC2(C1)OCCO2
InChIInChI=1S/C17H24O2S/c1-16(2,20-15-8-4-3-5-9-15)14-7-6-10-17(13-14)18-11-12-19-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyYTFKKBITRPNZQF-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.49
Rot. Bonds3

About 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane

7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 11130119) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID11130119
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(Sc1ccccc1)C1CCCC2(C1)OCCO2
InChIInChI=1S/C17H24O2S/c1-16(2,20-15-8-4-3-5-9-15)14-7-6-10-17(13-14)18-11-12-19-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyYTFKKBITRPNZQF-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane 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

1,3-Dioxolane, 2-methyl-2-[6-methyl-7-(phenylthio)bicyclo[4.1.0]hept-3-yl]-
CID 361934
9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 394586
(3'S,10'Z)-3'-phenylsulfanylspiro[1,3-dioxolane-2,4'-2,3,3a,5,6,7,8,9-octahydro-1H-cyclopenta[9]annulene]
CID 5467538
(3'S,3'aR,10'Z)-3'-phenylsulfanylspiro[1,3-dioxolane-2,4'-2,3,3a,5,6,7,8,9-octahydro-1H-cyclopenta[9]annulene]
CID 11970007
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
2-[10-Methoxy-10-(phenylsulfanyl)decyl]-2-methyl-1,3-dioxolane
CID 13215969
(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-6-phenylsulfanyl-3,4-dihydro-2H-pyran
CID 16119967
(9S)-6-methyl-7-phenylsulfanyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
CID 134876254
(2S,4S,6R)-4-hexyl-4,6-dimethyl-6-phenylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 134878898
9-Tert-butyl-3-methyl-3-(phenylsulfanylmethyl)-1,2,5-trioxaspiro[5.5]undecane
CID 134928792
(9S)-6-methyl-7-phenylsulfanyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 134936548
(10'Z)-3'-phenylsulfanylspiro[1,3-dioxolane-2,4'-2,3,3a,5,6,7,8,9-octahydro-1H-cyclopenta[9]annulene]
CID 5927952

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane (CID 11130119) is 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane is CC(C)(Sc1ccccc1)C1CCCC2(C1)OCCO2.
What is the InChIKey of 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YTFKKBITRPNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-16(2,20-15-8-4-3-5-9-15)14-7-6-10-17(13-14)18-11-12-19-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane?
7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 292.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylsulfanylpropan-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11130119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).