4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one

C14H24O3 — CID 114969240

IUPAC4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
SMILESO=C(CCC1CCCCO1)CC1CCOCC1
InChIInChI=1S/C14H24O3/c15-13(11-12-6-9-16-10-7-12)4-5-14-3-1-2-8-17-14/h12,14H,1-11H2
InChIKeyVUXKMOGXXGGQTA-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.72
Rot. Bonds5

About 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one

4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one (PubChem CID 114969240) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
PubChem CID114969240
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
SMILESO=C(CCC1CCCCO1)CC1CCOCC1
InChIInChI=1S/C14H24O3/c15-13(11-12-6-9-16-10-7-12)4-5-14-3-1-2-8-17-14/h12,14H,1-11H2
InChIKeyVUXKMOGXXGGQTA-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
CID 103986354
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-(oxan-2-yl)hept-5-yn-3-one
CID 114964990
5-hydroxy-1-(oxan-4-yl)pentan-2-one
CID 106677450
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
CID 114976894
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one?
The IUPAC name of 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one (CID 114969240) is 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one.
What is the SMILES notation for 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one?
The canonical SMILES for 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one is O=C(CCC1CCCCO1)CC1CCOCC1.
What is the InChIKey of 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one?
The InChIKey is VUXKMOGXXGGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c15-13(11-12-6-9-16-10-7-12)4-5-14-3-1-2-8-17-14/h12,14H,1-11H2.
What are the key properties of 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one?
4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one has a molecular weight of 240.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one is sourced from PubChem (CID 114969240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).