1-cyclohexyl-4-(oxolan-2-yl)butan-2-one

C14H24O2 — CID 114967671

IUPAC1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)CC1CCCCC1
InChIInChI=1S/C14H24O2/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h12,14H,1-11H2
InChIKeyHQNXAUYBQRIIDX-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.49
Rot. Bonds5

About 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one

1-cyclohexyl-4-(oxolan-2-yl)butan-2-one (PubChem CID 114967671) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
PubChem CID114967671
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)CC1CCCCC1
InChIInChI=1S/C14H24O2/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h12,14H,1-11H2
InChIKeyHQNXAUYBQRIIDX-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
CID 103986354
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
CID 114976894
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one?
The IUPAC name of 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one (CID 114967671) is 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one?
The canonical SMILES for 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one is O=C(CCC1CCCO1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one?
The InChIKey is HQNXAUYBQRIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h12,14H,1-11H2.
What are the key properties of 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one?
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 114967671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).