(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one

C13H18O2 — CID 15038122

IUPAC(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
SMILESCC1=CCCCC1[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-8-7-12(14)10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3/t10-,11?,13+/m0/s1
InChIKeyJJHADUXKXOHJIL-CCQDYZPNSA-N
MW206.28 g/mol
LogP2.65
Rot. Bonds1

About (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one

(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one (PubChem CID 15038122) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
PubChem CID15038122
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
SMILESCC1=CCCCC1[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-8-7-12(14)10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3/t10-,11?,13+/m0/s1
InChIKeyJJHADUXKXOHJIL-CCQDYZPNSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The IUPAC name of (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one (CID 15038122) is (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one is CC1=CCCCC1[C@H]1C=CC(=O)[C@H](C)O1.
What is the InChIKey of (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The InChIKey is JJHADUXKXOHJIL-CCQDYZPNSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-8-7-12(14)10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3/t10-,11?,13+/m0/s1.
What are the key properties of (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one has a molecular weight of 206.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one is sourced from PubChem (CID 15038122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).