(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one

C8H12O3 — CID 11686945

IUPAC(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
SMILESCOCO[C@H]1CC=CC(=O)C1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h2-3,8H,4-6H2,1H3/t8-/m0/s1
InChIKeyMNXLHFGJLBLPPU-QMMMGPOBSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds3

About (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one

(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one (PubChem CID 11686945) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
PubChem CID11686945
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
SMILESCOCO[C@H]1CC=CC(=O)C1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h2-3,8H,4-6H2,1H3/t8-/m0/s1
InChIKeyMNXLHFGJLBLPPU-QMMMGPOBSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one?
The IUPAC name of (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one (CID 11686945) is (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one is COCO[C@H]1CC=CC(=O)C1.
What is the InChIKey of (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one?
The InChIKey is MNXLHFGJLBLPPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-11-8-4-2-3-7(9)5-8/h2-3,8H,4-6H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one?
(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 11686945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).