2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one

C14H24O3 — CID 11322420

IUPAC2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c15-13-8-2-1-6-12(13)7-5-11-17-14-9-3-4-10-16-14/h12,14H,1-11H2
InChIKeyDQJDDGCOBRQUOK-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one

2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one (PubChem CID 11322420) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one
PubChem CID11322420
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c15-13-8-2-1-6-12(13)7-5-11-17-14-9-3-4-10-16-14/h12,14H,1-11H2
InChIKeyDQJDDGCOBRQUOK-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one?
The IUPAC name of 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one (CID 11322420) is 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one is O=C1CCCCC1CCCOC1CCCCO1.
What is the InChIKey of 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one?
The InChIKey is DQJDDGCOBRQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c15-13-8-2-1-6-12(13)7-5-11-17-14-9-3-4-10-16-14/h12,14H,1-11H2.
What are the key properties of 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one?
2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one has a molecular weight of 240.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yloxy)propyl]cyclohexan-1-one is sourced from PubChem (CID 11322420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).