(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one

C14H20O2 — CID 11020417

IUPAC(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one
SMILESC=CC1=CO[C@@H](C2CCCCC2)[C@@H](C)C1=O
InChIInChI=1S/C14H20O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/t10-,14+/m0/s1
InChIKeyYWSNARUXEFSZSL-IINYFYTJSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds2

About (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one

(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one (PubChem CID 11020417) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one
PubChem CID11020417
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one
SMILESC=CC1=CO[C@@H](C2CCCCC2)[C@@H](C)C1=O
InChIInChI=1S/C14H20O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/t10-,14+/m0/s1
InChIKeyYWSNARUXEFSZSL-IINYFYTJSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one (CID 11020417) is (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one is C=CC1=CO[C@@H](C2CCCCC2)[C@@H](C)C1=O.
What is the InChIKey of (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one?
The InChIKey is YWSNARUXEFSZSL-IINYFYTJSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/t10-,14+/m0/s1.
What are the key properties of (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one?
(2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one has a molecular weight of 220.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-cyclohexyl-5-ethenyl-3-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11020417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).