2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one

C13H24O — CID 130340533

IUPAC2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one
SMILESCC(C)C(=O)C1(C)C[C@H](C)C(C)(C)C1
InChIInChI=1S/C13H24O/c1-9(2)11(14)13(6)7-10(3)12(4,5)8-13/h9-10H,7-8H2,1-6H3/t10-,13?/m0/s1
InChIKeyWBUDPLWPRRQIQV-NKUHCKNESA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one

2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one (PubChem CID 130340533) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one
PubChem CID130340533
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one
SMILESCC(C)C(=O)C1(C)C[C@H](C)C(C)(C)C1
InChIInChI=1S/C13H24O/c1-9(2)11(14)13(6)7-10(3)12(4,5)8-13/h9-10H,7-8H2,1-6H3/t10-,13?/m0/s1
InChIKeyWBUDPLWPRRQIQV-NKUHCKNESA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one?
The IUPAC name of 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one (CID 130340533) is 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one is CC(C)C(=O)C1(C)C[C@H](C)C(C)(C)C1.
What is the InChIKey of 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one?
The InChIKey is WBUDPLWPRRQIQV-NKUHCKNESA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)11(14)13(6)7-10(3)12(4,5)8-13/h9-10H,7-8H2,1-6H3/t10-,13?/m0/s1.
What are the key properties of 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one?
2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one is sourced from PubChem (CID 130340533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).