(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one

C15H20O2 — CID 14396633

IUPAC(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
SMILESCC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O
InChIInChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1
InChIKeyKGKQKGYHFBZNEI-STQMWFEESA-N
MW232.32 g/mol
LogP3.69
Rot. Bonds3

About (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one

(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one (PubChem CID 14396633) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
PubChem CID14396633
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
SMILESCC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O
InChIInChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1
InChIKeyKGKQKGYHFBZNEI-STQMWFEESA-N
XLogP3.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one (CID 14396633) is (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one is CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O.
What is the InChIKey of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one?
The InChIKey is KGKQKGYHFBZNEI-STQMWFEESA-N. The full InChI is InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one?
(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 14396633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).