2,3,4-trimethoxy-5-methylcyclopentan-1-one

C9H16O4 — CID 18341652

IUPAC2,3,4-trimethoxy-5-methylcyclopentan-1-one
SMILESCOC1C(=O)C(C)C(OC)C1OC
InChIInChI=1S/C9H16O4/c1-5-6(10)8(12-3)9(13-4)7(5)11-2/h5,7-9H,1-4H3
InChIKeyWGRVTIIAPHFNQY-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.25
Rot. Bonds3

About 2,3,4-trimethoxy-5-methylcyclopentan-1-one

2,3,4-trimethoxy-5-methylcyclopentan-1-one (PubChem CID 18341652) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2,3,4-trimethoxy-5-methylcyclopentan-1-one.

Molecular Properties

Compound Name2,3,4-trimethoxy-5-methylcyclopentan-1-one
PubChem CID18341652
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2,3,4-trimethoxy-5-methylcyclopentan-1-one
SMILESCOC1C(=O)C(C)C(OC)C1OC
InChIInChI=1S/C9H16O4/c1-5-6(10)8(12-3)9(13-4)7(5)11-2/h5,7-9H,1-4H3
InChIKeyWGRVTIIAPHFNQY-UHFFFAOYSA-N
XLogP0.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 18341665
(1R,3R,4R,5R)-3-methyl-4-(2-tritioethoxy)-6-oxabicyclo[3.1.0]hexan-2-one
CID 58521114
1,2,3,4-Tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one
CID 90874866
(2R,3S,5R)-5-butoxy-3-hydroxy-2-(hydroxymethyl)cyclopentan-1-one
CID 118017240
3,4-Dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one
CID 118099334
(1R,4S,5R)-4-methoxy-1-(propan-2-yloxymethyl)-6-oxabicyclo[3.1.0]hexan-2-one
CID 14566547

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The IUPAC name of 2,3,4-trimethoxy-5-methylcyclopentan-1-one (CID 18341652) is 2,3,4-trimethoxy-5-methylcyclopentan-1-one.
What is the SMILES notation for 2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The canonical SMILES for 2,3,4-trimethoxy-5-methylcyclopentan-1-one is COC1C(=O)C(C)C(OC)C1OC.
What is the InChIKey of 2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The InChIKey is WGRVTIIAPHFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-6(10)8(12-3)9(13-4)7(5)11-2/h5,7-9H,1-4H3.
What are the key properties of 2,3,4-trimethoxy-5-methylcyclopentan-1-one?
2,3,4-trimethoxy-5-methylcyclopentan-1-one has a molecular weight of 188.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-5-methylcyclopentan-1-one is sourced from PubChem (CID 18341652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).