4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one

C23H32O5S — CID 11384633

IUPAC4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one
SMILESC=C(C)[C@@H]1CCC(C)(CC(CC(C)=O)S(=O)(=O)c2ccccc2)C2(C1)OCCO2
InChIInChI=1S/C23H32O5S/c1-17(2)19-10-11-22(4,23(15-19)27-12-13-28-23)16-21(14-18(3)24)29(25,26)20-8-6-5-7-9-20/h5-9,19,21H,1,10-16H2,2-4H3/t19-,21?,22?/m1/s1
InChIKeyXZJJPMKMRZLPBW-JSRJAPPDSA-N
MW420.57 g/mol
LogP4.32
Rot. Bonds7

About 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one

4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one (PubChem CID 11384633) has the molecular formula C23H32O5S and a molecular weight of 420.57 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one
PubChem CID11384633
Molecular FormulaC23H32O5S
Molecular Weight420.57 g/mol
Exact Mass420.20
IUPAC Name4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one
SMILESC=C(C)[C@@H]1CCC(C)(CC(CC(C)=O)S(=O)(=O)c2ccccc2)C2(C1)OCCO2
InChIInChI=1S/C23H32O5S/c1-17(2)19-10-11-22(4,23(15-19)27-12-13-28-23)16-21(14-18(3)24)29(25,26)20-8-6-5-7-9-20/h5-9,19,21H,1,10-16H2,2-4H3/t19-,21?,22?/m1/s1
InChIKeyXZJJPMKMRZLPBW-JSRJAPPDSA-N
XLogP4.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-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

9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 394586
9-[2-(Benzenesulfinyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 394593
(4'aS)-4'a-methyl-1'-(phenylsulfanylmethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 11100024
(E,6R)-9-(benzenesulfonyl)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyldec-3-ene-2,8-dione
CID 71578776
(2S,3S,5R)-2-(benzenesulfonyl)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methyl-3-(2-oxopropyl)cyclohexan-1-one
CID 71578777
7-[2-(Benzenesulfonyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 86052393
(5R)-2-(benzenesulfonyl)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloct-7-en-3-one
CID 102189637
4,4-Dimethyl-1-(2-methyl-1,3-dioxolan-2-YL)-2-(phenylsulfonyl)-6-hepten-3-one
CID 117069625
2-(benzenesulfonyl)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methyl-3-(2-oxopropyl)cyclohexan-1-one
CID 132514267
(4'aR)-4'a-methyl-1'-(phenylsulfanylmethyl)spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 134832513
3-[1-(Benzenesulfonyl)-3,3,3-trimethoxypropyl]cyclohexan-1-one
CID 134983535
2-(benzenesulfonyl)-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methyl-3-(2-oxopropyl)cyclohexan-1-one
CID 135034395

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one?
The IUPAC name of 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one (CID 11384633) is 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one is C=C(C)[C@@H]1CCC(C)(CC(CC(C)=O)S(=O)(=O)c2ccccc2)C2(C1)OCCO2.
What is the InChIKey of 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one?
The InChIKey is XZJJPMKMRZLPBW-JSRJAPPDSA-N. The full InChI is InChI=1S/C23H32O5S/c1-17(2)19-10-11-22(4,23(15-19)27-12-13-28-23)16-21(14-18(3)24)29(25,26)20-8-6-5-7-9-20/h5-9,19,21H,1,10-16H2,2-4H3/t19-,21?,22?/m1/s1.
What are the key properties of 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one?
4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one has a molecular weight of 420.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-[(9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]pentan-2-one is sourced from PubChem (CID 11384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).