[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate

C18H24O6S — CID 10948604

IUPAC[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate
SMILESCC(=O)CC[C@@H]1CC(OC(C)=O)O[C@@]1(C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24O6S/c1-13(19)9-10-15-11-17(23-14(2)20)24-18(15,3)12-25(21,22)16-7-5-4-6-8-16/h4-8,15,17H,9-12H2,1-3H3/t15-,17?,18+/m1/s1
InChIKeyYCSFNWGGYPPGQD-IKJNGHJTSA-N
MW368.45 g/mol
LogP2.51
Rot. Bonds7

About [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate

[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate (PubChem CID 10948604) has the molecular formula C18H24O6S and a molecular weight of 368.45 g/mol. Its IUPAC name is [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate
PubChem CID10948604
Molecular FormulaC18H24O6S
Molecular Weight368.45 g/mol
Exact Mass368.13
IUPAC Name[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate
SMILESCC(=O)CC[C@@H]1CC(OC(C)=O)O[C@@]1(C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24O6S/c1-13(19)9-10-15-11-17(23-14(2)20)24-18(15,3)12-25(21,22)16-7-5-4-6-8-16/h4-8,15,17H,9-12H2,1-3H3/t15-,17?,18+/m1/s1
InChIKeyYCSFNWGGYPPGQD-IKJNGHJTSA-N
XLogP2.51
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate 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

(3S,4R,5R)-3-(benzenesulfonyl)-4-(2-oct-7-enoxyethyl)-5-propyloxolan-2-one
CID 44580280
(3S,4R,5R)-3-(benzenesulfonyl)-4-(2-oct-7-enoxyethyl)-3-prop-2-enyl-5-propyloxolan-2-one
CID 44580281
(3S,4R,5R)-3-(benzenesulfonyl)-3,4-bis(prop-2-enyl)-5-propyloxolan-2-one
CID 11739536
(3S,4R,5R)-3-(benzenesulfonyl)-3-but-3-enyl-4-prop-2-enyl-5-propyloxolan-2-one
CID 44580244
(1R,11Z,14S,17R)-14-(benzenesulfonyl)-17-propyl-4,16-dioxabicyclo[12.3.0]heptadec-11-en-15-one
CID 44580282
[4-(Benzenesulfonyl)-5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl] acetate
CID 13265393
4-(Benzenesulfonyl)-5-(2-methylpropyl)oxolan-2-one
CID 13865190
Ethyl 2-[2-(benzenesulfonyl)ethyl]octanoate
CID 53235972
(E,6R)-9-(benzenesulfonyl)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyldec-3-ene-2,8-dione
CID 71578776
(5R)-2-(benzenesulfonyl)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloct-7-en-3-one
CID 102189637
methyl (3R,4S)-2-(benzenesulfonyl)-4-(methoxymethoxy)-3,5-dimethylhexanoate
CID 134916491
(E,6R)-9-(benzenesulfonyl)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyldec-3-ene-2,8-dione
CID 135034396

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate?
The IUPAC name of [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate (CID 10948604) is [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate?
The canonical SMILES for [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate is CC(=O)CC[C@@H]1CC(OC(C)=O)O[C@@]1(C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate?
The InChIKey is YCSFNWGGYPPGQD-IKJNGHJTSA-N. The full InChI is InChI=1S/C18H24O6S/c1-13(19)9-10-15-11-17(23-14(2)20)24-18(15,3)12-25(21,22)16-7-5-4-6-8-16/h4-8,15,17H,9-12H2,1-3H3/t15-,17?,18+/m1/s1.
What are the key properties of [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate?
[(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate has a molecular weight of 368.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(benzenesulfonylmethyl)-5-methyl-4-(3-oxobutyl)oxolan-2-yl] acetate is sourced from PubChem (CID 10948604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).