1-(oxan-4-yl)hexan-3-one

C11H20O2 — CID 62385519

IUPAC1-(oxan-4-yl)hexan-3-one
SMILESCCCC(=O)CCC1CCOCC1
InChIInChI=1S/C11H20O2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h10H,2-9H2,1H3
InChIKeyMOTQAZDKWPOCJT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds5

About 1-(oxan-4-yl)hexan-3-one

1-(oxan-4-yl)hexan-3-one (PubChem CID 62385519) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)hexan-3-one.

Molecular Properties

Compound Name1-(oxan-4-yl)hexan-3-one
PubChem CID62385519
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(oxan-4-yl)hexan-3-one
SMILESCCCC(=O)CCC1CCOCC1
InChIInChI=1S/C11H20O2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h10H,2-9H2,1H3
InChIKeyMOTQAZDKWPOCJT-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylhexan-3-one
CID 10856142
1-(oxan-4-yl)dodecan-5-one
CID 114192976
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110
methyl 3-(oxan-4-yl)propanoate
CID 55296577
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
CID 67554415
1-(oxan-4-yl)-4-propoxybutan-2-one
CID 105092006
1-cyclopentylpentadecan-3-one
CID 114969105
8-cyclohexyloctan-4-one
CID 143863986
7-amino-1-(oxan-4-yl)decan-5-one
CID 114193631
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
1,1,1-trifluoro-8-(oxan-4-yl)octan-4-one
CID 114191929

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)hexan-3-one?
The IUPAC name of 1-(oxan-4-yl)hexan-3-one (CID 62385519) is 1-(oxan-4-yl)hexan-3-one.
What is the SMILES notation for 1-(oxan-4-yl)hexan-3-one?
The canonical SMILES for 1-(oxan-4-yl)hexan-3-one is CCCC(=O)CCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)hexan-3-one?
The InChIKey is MOTQAZDKWPOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h10H,2-9H2,1H3.
What are the key properties of 1-(oxan-4-yl)hexan-3-one?
1-(oxan-4-yl)hexan-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)hexan-3-one is sourced from PubChem (CID 62385519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).