4-(oxolan-3-yloxy)butan-2-one

C8H14O3 — CID 63559452

IUPAC4-(oxolan-3-yloxy)butan-2-one
SMILESCC(=O)CCOC1CCOC1
InChIInChI=1S/C8H14O3/c1-7(9)2-5-11-8-3-4-10-6-8/h8H,2-6H2,1H3
InChIKeyWRNGZFIGVOMHMB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds4

About 4-(oxolan-3-yloxy)butan-2-one

4-(oxolan-3-yloxy)butan-2-one (PubChem CID 63559452) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)butan-2-one.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)butan-2-one
PubChem CID63559452
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(oxolan-3-yloxy)butan-2-one
SMILESCC(=O)CCOC1CCOC1
InChIInChI=1S/C8H14O3/c1-7(9)2-5-11-8-3-4-10-6-8/h8H,2-6H2,1H3
InChIKeyWRNGZFIGVOMHMB-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

3-propoxyoxolane
CID 14071397
2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63557695
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
1-[2-[2-(oxolan-3-yloxy)ethoxy]phenyl]ethanone
CID 63557252
ethane;3-ethoxyoxolane
CID 142523367
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
CID 167785998
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)butan-2-one?
The IUPAC name of 4-(oxolan-3-yloxy)butan-2-one (CID 63559452) is 4-(oxolan-3-yloxy)butan-2-one.
What is the SMILES notation for 4-(oxolan-3-yloxy)butan-2-one?
The canonical SMILES for 4-(oxolan-3-yloxy)butan-2-one is CC(=O)CCOC1CCOC1.
What is the InChIKey of 4-(oxolan-3-yloxy)butan-2-one?
The InChIKey is WRNGZFIGVOMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(9)2-5-11-8-3-4-10-6-8/h8H,2-6H2,1H3.
What are the key properties of 4-(oxolan-3-yloxy)butan-2-one?
4-(oxolan-3-yloxy)butan-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 4-(oxolan-3-yloxy)butan-2-one is sourced from PubChem (CID 63559452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).