cyclohexen-1-yl 6-propoxyhexanoate

C15H26O3 — CID 134561716

IUPACcyclohexen-1-yl 6-propoxyhexanoate
SMILESCCCOCCCCCC(=O)OC1=CCCCC1
InChIInChI=1S/C15H26O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h9H,2-8,10-13H2,1H3
InChIKeyITAUCHPDNAGOAE-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.97
Rot. Bonds9

About cyclohexen-1-yl 6-propoxyhexanoate

cyclohexen-1-yl 6-propoxyhexanoate (PubChem CID 134561716) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is cyclohexen-1-yl 6-propoxyhexanoate.

Molecular Properties

Compound Namecyclohexen-1-yl 6-propoxyhexanoate
PubChem CID134561716
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namecyclohexen-1-yl 6-propoxyhexanoate
SMILESCCCOCCCCCC(=O)OC1=CCCCC1
InChIInChI=1S/C15H26O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h9H,2-8,10-13H2,1H3
InChIKeyITAUCHPDNAGOAE-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.97
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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Related Compounds

cyclohexen-1-yl 5-ethoxypentanoate
CID 134561572
dicyclododecen-1-yl butanedioate
CID 70131670
methyl 6-propoxyhexanoate
CID 68704998
cyclohexyl 6-propoxyhexanoate
CID 134561647
[(1E)-3-methylcyclopentadecen-1-yl] dodecanoate
CID 68818540
(3-oxocyclohexen-1-yl) nonanoate
CID 91181212
phenyl 5-butoxypentanoate
CID 174713962
cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate
CID 67925105
(3-methylcyclopentadecen-1-yl) pentanoate
CID 68817888
bis(3-propoxypropyl) hexanedioate
CID 174802487
octadecanoyl octadecaneperoxoate;1-octoxydodecane
CID 175159083
propan-2-yl 5-propoxypentanoate
CID 134561604

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl 6-propoxyhexanoate?
The IUPAC name of cyclohexen-1-yl 6-propoxyhexanoate (CID 134561716) is cyclohexen-1-yl 6-propoxyhexanoate.
What is the SMILES notation for cyclohexen-1-yl 6-propoxyhexanoate?
The canonical SMILES for cyclohexen-1-yl 6-propoxyhexanoate is CCCOCCCCCC(=O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl 6-propoxyhexanoate?
The InChIKey is ITAUCHPDNAGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h9H,2-8,10-13H2,1H3.
What are the key properties of cyclohexen-1-yl 6-propoxyhexanoate?
cyclohexen-1-yl 6-propoxyhexanoate has a molecular weight of 254.37 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 6-propoxyhexanoate is sourced from PubChem (CID 134561716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).