(5S)-5-methoxycyclohex-2-en-1-one

C7H10O2 — CID 130996675

IUPAC(5S)-5-methoxycyclohex-2-en-1-one
SMILESCO[C@H]1CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyCLAKHSWTVLCGMU-ZETCQYMHSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About (5S)-5-methoxycyclohex-2-en-1-one

(5S)-5-methoxycyclohex-2-en-1-one (PubChem CID 130996675) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (5S)-5-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-methoxycyclohex-2-en-1-one
PubChem CID130996675
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(5S)-5-methoxycyclohex-2-en-1-one
SMILESCO[C@H]1CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyCLAKHSWTVLCGMU-ZETCQYMHSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxycyclohex-2-en-1-one?
The IUPAC name of (5S)-5-methoxycyclohex-2-en-1-one (CID 130996675) is (5S)-5-methoxycyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-methoxycyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-methoxycyclohex-2-en-1-one is CO[C@H]1CC=CC(=O)C1.
What is the InChIKey of (5S)-5-methoxycyclohex-2-en-1-one?
The InChIKey is CLAKHSWTVLCGMU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-5-methoxycyclohex-2-en-1-one?
(5S)-5-methoxycyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 130996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).