1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one

C14H26O4 — CID 146621932

IUPAC1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one
SMILESCCC(=O)COCC1CCCC(OCC(C)C)O1
InChIInChI=1S/C14H26O4/c1-4-12(15)9-16-10-13-6-5-7-14(18-13)17-8-11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyJAEKWLRUQYSLPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.55
Rot. Bonds8

About 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one

1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one (PubChem CID 146621932) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one.

Molecular Properties

Compound Name1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one
PubChem CID146621932
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one
SMILESCCC(=O)COCC1CCCC(OCC(C)C)O1
InChIInChI=1S/C14H26O4/c1-4-12(15)9-16-10-13-6-5-7-14(18-13)17-8-11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyJAEKWLRUQYSLPB-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[(6-ethoxyoxan-2-yl)methoxy]-N-propylacetamide
CID 143928045
2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
CID 91155990
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
2-[(6-aminooxan-2-yl)methoxy]acetamide
CID 123485245
ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
CID 135130509
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
tert-butyl-[[(2S)-6-ethoxyoxan-2-yl]methoxy]-dimethylsilane
CID 139257646
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one?
The IUPAC name of 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one (CID 146621932) is 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one.
What is the SMILES notation for 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one?
The canonical SMILES for 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one is CCC(=O)COCC1CCCC(OCC(C)C)O1.
What is the InChIKey of 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one?
The InChIKey is JAEKWLRUQYSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-12(15)9-16-10-13-6-5-7-14(18-13)17-8-11(2)3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one?
1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one is sourced from PubChem (CID 146621932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).