1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone

C12H22O4 — CID 10988064

IUPAC1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
SMILESCOCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1
InChIInChI=1S/C12H22O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9,11-12H,4-8H2,1-3H3/t9-,11-,12-/m1/s1
InChIKeySEJJDLBNMSFRAM-YUSALJHKSA-N
MW230.30 g/mol
LogP1.77
Rot. Bonds7

About 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone

1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone (PubChem CID 10988064) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
PubChem CID10988064
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
SMILESCOCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1
InChIInChI=1S/C12H22O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9,11-12H,4-8H2,1-3H3/t9-,11-,12-/m1/s1
InChIKeySEJJDLBNMSFRAM-YUSALJHKSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.77
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]ethanol
CID 10988129
5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
CID 11032933
methyl (2S,3R,6R)-2-[3-(methoxymethoxy)propyl]-3-methyl-6-pent-4-enylpiperidine-1-carboxylate
CID 10426602
methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
CID 10422764
1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
CID 159269856
7-(methoxymethoxy)heptan-1-ol
CID 102354620
3-[(2S,3R,4S,4aS,6R,8S,8aS)-8-chloro-2,3,4-trimethoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propyl acetate
CID 132524982
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
CID 20677838
CID 20677838
[(3R,4R,5S,7R)-2,3-diacetyloxy-7-ethyl-5-methyloxepan-4-yl] acetate
CID 58940486
2-[3-(methoxymethoxy)propyl]-5,5-dimethyl-2H-furan
CID 141106568
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103415800

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone?
The IUPAC name of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone (CID 10988064) is 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone is COCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)=O)O1.
What is the InChIKey of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone?
The InChIKey is SEJJDLBNMSFRAM-YUSALJHKSA-N. The full InChI is InChI=1S/C12H22O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9,11-12H,4-8H2,1-3H3/t9-,11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone?
1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone has a molecular weight of 230.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone is sourced from PubChem (CID 10988064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).