5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one

C15H26O4 — CID 11032933

IUPAC5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
SMILESCOCOCC[C@@]1(CCCC(C)=O)CC[C@H]1C(C)=O
InChIInChI=1S/C15H26O4/c1-12(16)5-4-7-15(9-10-19-11-18-3)8-6-14(15)13(2)17/h14H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyUCVUVXYGVQZOLT-LSDHHAIUSA-N
MW270.37 g/mol
LogP2.74
Rot. Bonds10

About 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one

5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one (PubChem CID 11032933) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one.

Molecular Properties

Compound Name5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
PubChem CID11032933
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
SMILESCOCOCC[C@@]1(CCCC(C)=O)CC[C@H]1C(C)=O
InChIInChI=1S/C15H26O4/c1-12(16)5-4-7-15(9-10-19-11-18-3)8-6-14(15)13(2)17/h14H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyUCVUVXYGVQZOLT-LSDHHAIUSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
CID 10988064
5-[1-(cyclopropylmethyl)cyclopropyl]pentan-2-one
CID 89310191
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
6-[(2-methylcyclopropyl)methoxy]hexan-2-one
CID 135222353
17-methoxyheptadecan-2-one
CID 59530855
5-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methoxy]pentan-2-one
CID 169159180
5-methoxypentan-2-one acetate
CID 123446374
[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
CID 142724767
(1S,3R,6R)-3,7,7-trimethyl-3-(4-oxopentyl)bicyclo[4.1.0]heptan-2-one
CID 10514006
methyl (1R,6S,7R)-7-[3-(methoxymethoxy)propyl]-7-methyl-2-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 95565473

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one?
The IUPAC name of 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one (CID 11032933) is 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one.
What is the SMILES notation for 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one?
The canonical SMILES for 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one is COCOCC[C@@]1(CCCC(C)=O)CC[C@H]1C(C)=O.
What is the InChIKey of 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one?
The InChIKey is UCVUVXYGVQZOLT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26O4/c1-12(16)5-4-7-15(9-10-19-11-18-3)8-6-14(15)13(2)17/h14H,4-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one?
5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one has a molecular weight of 270.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one is sourced from PubChem (CID 11032933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).