(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one

C10H16O2 — CID 134894437

IUPAC(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-6-5-9(12-4)8(3)10(11)7(6)2/h6-7H,5H2,1-4H3/t6-,7?/m1/s1
InChIKeyAVALTSBGJKXAGM-ULUSZKPHSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds1

About (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one

(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one (PubChem CID 134894437) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one
PubChem CID134894437
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-6-5-9(12-4)8(3)10(11)7(6)2/h6-7H,5H2,1-4H3/t6-,7?/m1/s1
InChIKeyAVALTSBGJKXAGM-ULUSZKPHSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one (CID 134894437) is (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one is COC1=C(C)C(=O)C(C)[C@H](C)C1.
What is the InChIKey of (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one?
The InChIKey is AVALTSBGJKXAGM-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-5-9(12-4)8(3)10(11)7(6)2/h6-7H,5H2,1-4H3/t6-,7?/m1/s1.
What are the key properties of (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one?
(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 134894437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).