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

C15H26O2 — CID 114969110

IUPAC4-cyclohexyl-1-(oxan-4-yl)butan-2-one
SMILESO=C(CCC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C15H26O2/c16-15(12-14-8-10-17-11-9-14)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2
InChIKeyIOVDLIIXXAELIZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds5

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

4-cyclohexyl-1-(oxan-4-yl)butan-2-one (PubChem CID 114969110) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-cyclohexyl-1-(oxan-4-yl)butan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(oxan-4-yl)butan-2-one
PubChem CID114969110
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-cyclohexyl-1-(oxan-4-yl)butan-2-one
SMILESO=C(CCC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C15H26O2/c16-15(12-14-8-10-17-11-9-14)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2
InChIKeyIOVDLIIXXAELIZ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
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
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-(oxan-4-yl)hexan-3-one
CID 62385519
5-hydroxy-1-(oxan-4-yl)pentan-2-one
CID 106677450
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-cycloheptylhex-5-yn-2-one
CID 114972742
7-amino-1-(oxan-4-yl)heptan-2-one
CID 116550051
1-cyclohexylhexan-3-one
CID 10856142
1-(oxan-4-yl)-4-propoxybutan-2-one
CID 105092006
4-chloro-1-cyclopentylbutan-2-one
CID 57105586

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(oxan-4-yl)butan-2-one?
The IUPAC name of 4-cyclohexyl-1-(oxan-4-yl)butan-2-one (CID 114969110) is 4-cyclohexyl-1-(oxan-4-yl)butan-2-one.
What is the SMILES notation for 4-cyclohexyl-1-(oxan-4-yl)butan-2-one?
The canonical SMILES for 4-cyclohexyl-1-(oxan-4-yl)butan-2-one is O=C(CCC1CCCCC1)CC1CCOCC1.
What is the InChIKey of 4-cyclohexyl-1-(oxan-4-yl)butan-2-one?
The InChIKey is IOVDLIIXXAELIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-15(12-14-8-10-17-11-9-14)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2.
What are the key properties of 4-cyclohexyl-1-(oxan-4-yl)butan-2-one?
4-cyclohexyl-1-(oxan-4-yl)butan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(oxan-4-yl)butan-2-one is sourced from PubChem (CID 114969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).