1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol

C14H28O6 — CID 142879767

IUPAC1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol
SMILESCC(C)(O)O.COC(C)(C)OC1CC(C(C)=O)OC1C
InChIInChI=1S/C11H20O4.C3H8O2/c1-7(12)9-6-10(8(2)14-9)15-11(3,4)13-5;1-3(2,4)5/h8-10H,6H2,1-5H3;4-5H,1-2H3
InChIKeyHFLPETWPNKGCLA-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.23
Rot. Bonds4

About 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol

1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol (PubChem CID 142879767) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol.

Molecular Properties

Compound Name1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol
PubChem CID142879767
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol
SMILESCC(C)(O)O.COC(C)(C)OC1CC(C(C)=O)OC1C
InChIInChI=1S/C11H20O4.C3H8O2/c1-7(12)9-6-10(8(2)14-9)15-11(3,4)13-5;1-3(2,4)5/h8-10H,6H2,1-5H3;4-5H,1-2H3
InChIKeyHFLPETWPNKGCLA-UHFFFAOYSA-N
XLogP1.23
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-Methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
CID 10537412
1-Methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
CID 10774464
(5S)-5-hydroxy-1-(2-methyl-1,3-dioxolan-2-yl)heptan-4-one
CID 14444543
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-2-one
CID 101443242
[(2R,3R,4R)-5-acetyl-4-acetyloxy-5-hydroxy-2-methyloxolan-3-yl] acetate
CID 22874588
1-[(2R,5R)-5-acetyl-3-hydroxy-2-methoxy-2,5-dimethyloxolan-3-yl]oxypropan-2-one
CID 68200206
(3R)-3-[(3R,5R)-5-acetyl-2,3-dihydroxy-2,5-dimethyloxolan-3-yl]oxybutan-2-one
CID 71031656
4-[(2R,4R,5R)-2-acetyl-4-hydroxy-5-methoxy-2,5-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 71031658
(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 118551569
1-[(5S)-6-(2-hydroxypropan-2-yloxy)-2,2,5-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]ethanone
CID 142879766
(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 146994998
3-Hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
CID 174677704

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol?
The IUPAC name of 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol (CID 142879767) is 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol.
What is the SMILES notation for 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol?
The canonical SMILES for 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol is CC(C)(O)O.COC(C)(C)OC1CC(C(C)=O)OC1C.
What is the InChIKey of 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol?
The InChIKey is HFLPETWPNKGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4.C3H8O2/c1-7(12)9-6-10(8(2)14-9)15-11(3,4)13-5;1-3(2,4)5/h8-10H,6H2,1-5H3;4-5H,1-2H3.
What are the key properties of 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol?
1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol has a molecular weight of 292.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypropan-2-yloxy)-5-methyloxolan-2-yl]ethanone;propane-2,2-diol is sourced from PubChem (CID 142879767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).