2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one

C21H32O2S — CID 10545694

IUPAC2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one
SMILESCC1CCC([S@@](=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1=O
InChIInChI=1S/C21H32O2S/c1-12(2)16-10-17(13(3)4)21(18(11-16)14(5)6)24(23)19-9-8-15(7)20(19)22/h10-15,19H,8-9H2,1-7H3/t15?,19?,24-/m1/s1
InChIKeyPJUDYUJZUFGQPY-MKYRARMWSA-N
MW348.55 g/mol
LogP5.53
Rot. Bonds5

About 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one

2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one (PubChem CID 10545694) has the molecular formula C21H32O2S and a molecular weight of 348.55 g/mol. Its IUPAC name is 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one
PubChem CID10545694
Molecular FormulaC21H32O2S
Molecular Weight348.55 g/mol
Exact Mass348.21
IUPAC Name2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one
SMILESCC1CCC([S@@](=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1=O
InChIInChI=1S/C21H32O2S/c1-12(2)16-10-17(13(3)4)21(18(11-16)14(5)6)24(23)19-9-8-15(7)20(19)22/h10-15,19H,8-9H2,1-7H3/t15?,19?,24-/m1/s1
InChIKeyPJUDYUJZUFGQPY-MKYRARMWSA-N
XLogP5.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 2,4,6-tri(propan-2-yl)benzenesulfinate
CID 23661810
trans-(2R,3R)-3-cyclohexyl-2-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one
CID 10716831
2-[(S)-[4-methyl-2-[[5-methyl-2-[(S)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]phenyl]diselanyl]phenyl]sulfinyl]-1,3,5-tri(propan-2-yl)benzene
CID 46900509
3-[2,4,6-tri(propan-2-yl)phenyl]sulfinylpent-3-en-2-one
CID 85241413
CID 23175245
CID 23175245
lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 102436390
(NE,R)-N-benzylidene-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 46177609
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol
CID 150844320
N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 135269427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one?
The IUPAC name of 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one (CID 10545694) is 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one.
What is the SMILES notation for 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one?
The canonical SMILES for 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one is CC1CCC([S@@](=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1=O.
What is the InChIKey of 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one?
The InChIKey is PJUDYUJZUFGQPY-MKYRARMWSA-N. The full InChI is InChI=1S/C21H32O2S/c1-12(2)16-10-17(13(3)4)21(18(11-16)14(5)6)24(23)19-9-8-15(7)20(19)22/h10-15,19H,8-9H2,1-7H3/t15?,19?,24-/m1/s1.
What are the key properties of 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one?
2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one has a molecular weight of 348.55 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one is sourced from PubChem (CID 10545694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).