1-(cyclohexen-1-yloxy)propan-2-one

C9H14O2 — CID 12741676

IUPAC1-(cyclohexen-1-yloxy)propan-2-one
SMILESCC(=O)COC1=CCCCC1
InChIInChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3
InChIKeyFBNMASMWRCHJNA-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About 1-(cyclohexen-1-yloxy)propan-2-one

1-(cyclohexen-1-yloxy)propan-2-one (PubChem CID 12741676) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yloxy)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yloxy)propan-2-one
PubChem CID12741676
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(cyclohexen-1-yloxy)propan-2-one
SMILESCC(=O)COC1=CCCCC1
InChIInChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3
InChIKeyFBNMASMWRCHJNA-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yloxy)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yloxy)propan-2-one (CID 12741676) is 1-(cyclohexen-1-yloxy)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yloxy)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yloxy)propan-2-one is CC(=O)COC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yloxy)propan-2-one?
The InChIKey is FBNMASMWRCHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yloxy)propan-2-one?
1-(cyclohexen-1-yloxy)propan-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yloxy)propan-2-one is sourced from PubChem (CID 12741676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).