1-cyclohexyloxyhex-5-en-2-one

C12H20O2 — CID 19793912

IUPAC1-cyclohexyloxyhex-5-en-2-one
SMILESC=CCCC(=O)COC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,12H,1,3-10H2
InChIKeyFDTWZDNUCSBPAJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclohexyloxyhex-5-en-2-one

1-cyclohexyloxyhex-5-en-2-one (PubChem CID 19793912) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclohexyloxyhex-5-en-2-one.

Molecular Properties

Compound Name1-cyclohexyloxyhex-5-en-2-one
PubChem CID19793912
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclohexyloxyhex-5-en-2-one
SMILESC=CCCC(=O)COC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,12H,1,3-10H2
InChIKeyFDTWZDNUCSBPAJ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxyhex-5-en-2-one?
The IUPAC name of 1-cyclohexyloxyhex-5-en-2-one (CID 19793912) is 1-cyclohexyloxyhex-5-en-2-one.
What is the SMILES notation for 1-cyclohexyloxyhex-5-en-2-one?
The canonical SMILES for 1-cyclohexyloxyhex-5-en-2-one is C=CCCC(=O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxyhex-5-en-2-one?
The InChIKey is FDTWZDNUCSBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h2,12H,1,3-10H2.
What are the key properties of 1-cyclohexyloxyhex-5-en-2-one?
1-cyclohexyloxyhex-5-en-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxyhex-5-en-2-one is sourced from PubChem (CID 19793912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).