1-(oxolan-2-ylmethoxy)propan-2-one

C8H14O3 — CID 43798300

IUPAC1-(oxolan-2-ylmethoxy)propan-2-one
SMILESCC(=O)COCC1CCCO1
InChIInChI=1S/C8H14O3/c1-7(9)5-10-6-8-3-2-4-11-8/h8H,2-6H2,1H3
InChIKeyVXKRVOFQMHYEQD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds4

About 1-(oxolan-2-ylmethoxy)propan-2-one

1-(oxolan-2-ylmethoxy)propan-2-one (PubChem CID 43798300) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethoxy)propan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethoxy)propan-2-one
PubChem CID43798300
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(oxolan-2-ylmethoxy)propan-2-one
SMILESCC(=O)COCC1CCCO1
InChIInChI=1S/C8H14O3/c1-7(9)5-10-6-8-3-2-4-11-8/h8H,2-6H2,1H3
InChIKeyVXKRVOFQMHYEQD-UHFFFAOYSA-N
XLogP0.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
CID 91155990
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
methyl-oxo-(oxolan-2-ylmethoxy)phosphanium
CID 59116285

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethoxy)propan-2-one?
The IUPAC name of 1-(oxolan-2-ylmethoxy)propan-2-one (CID 43798300) is 1-(oxolan-2-ylmethoxy)propan-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethoxy)propan-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethoxy)propan-2-one is CC(=O)COCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethoxy)propan-2-one?
The InChIKey is VXKRVOFQMHYEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(9)5-10-6-8-3-2-4-11-8/h8H,2-6H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethoxy)propan-2-one?
1-(oxolan-2-ylmethoxy)propan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethoxy)propan-2-one is sourced from PubChem (CID 43798300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).