1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one

C19H36O8 — CID 90874866

IUPAC1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one
SMILESCOC1C(=O)C(C)C(OC)C1OC.COC1C(C)C(OC)C(OC)C1OC
InChIInChI=1S/C10H20O4.C9H16O4/c1-6-7(11-2)9(13-4)10(14-5)8(6)12-3;1-5-6(10)8(12-3)9(13-4)7(5)11-2/h6-10H,1-5H3;5,7-9H,1-4H3
InChIKeyQYLCEARNTAEJQE-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.95
Rot. Bonds7

About 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one

1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one (PubChem CID 90874866) has the molecular formula C19H36O8 and a molecular weight of 392.49 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one.

Molecular Properties

Compound Name1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one
PubChem CID90874866
Molecular FormulaC19H36O8
Molecular Weight392.49 g/mol
Exact Mass392.24
IUPAC Name1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one
SMILESCOC1C(=O)C(C)C(OC)C1OC.COC1C(C)C(OC)C(OC)C1OC
InChIInChI=1S/C10H20O4.C9H16O4/c1-6-7(11-2)9(13-4)10(14-5)8(6)12-3;1-5-6(10)8(12-3)9(13-4)7(5)11-2/h6-10H,1-5H3;5,7-9H,1-4H3
InChIKeyQYLCEARNTAEJQE-UHFFFAOYSA-N
XLogP0.95
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,3,4-Trimethoxy-5-methylcyclopentan-1-one
CID 18341652

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The IUPAC name of 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one (CID 90874866) is 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one.
What is the SMILES notation for 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The canonical SMILES for 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one is COC1C(=O)C(C)C(OC)C1OC.COC1C(C)C(OC)C(OC)C1OC.
What is the InChIKey of 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one?
The InChIKey is QYLCEARNTAEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.C9H16O4/c1-6-7(11-2)9(13-4)10(14-5)8(6)12-3;1-5-6(10)8(12-3)9(13-4)7(5)11-2/h6-10H,1-5H3;5,7-9H,1-4H3.
What are the key properties of 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one?
1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one has a molecular weight of 392.49 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxy-5-methylcyclopentane;2,3,4-trimethoxy-5-methylcyclopentan-1-one is sourced from PubChem (CID 90874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).