cyclohexyl 6-propoxyhexanoate

C15H28O3 — CID 134561647

IUPACcyclohexyl 6-propoxyhexanoate
SMILESCCCOCCCCCC(=O)OC1CCCCC1
InChIInChI=1S/C15H28O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h14H,2-13H2,1H3
InChIKeyGTAYSGXIAUCIEJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.85
Rot. Bonds9

About cyclohexyl 6-propoxyhexanoate

cyclohexyl 6-propoxyhexanoate (PubChem CID 134561647) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is cyclohexyl 6-propoxyhexanoate.

Molecular Properties

Compound Namecyclohexyl 6-propoxyhexanoate
PubChem CID134561647
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namecyclohexyl 6-propoxyhexanoate
SMILESCCCOCCCCCC(=O)OC1CCCCC1
InChIInChI=1S/C15H28O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h14H,2-13H2,1H3
InChIKeyGTAYSGXIAUCIEJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.85
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

cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cyclobutyl pentadecanoate
CID 46229794
dicyclohexyl pentanedioate
CID 15593941
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
copper;cyclohexyl butanoate
CID 67654151
magnesium;cyclohexyl butanoate;hydride
CID 174620917
cyclopentadecyl 8-bromooctanoate
CID 171623648
potassium;cyclohexyl butanoate;hydride
CID 174359508
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
strontium;cyclohexyl butanoate;hydride
CID 173148532

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-propoxyhexanoate?
The IUPAC name of cyclohexyl 6-propoxyhexanoate (CID 134561647) is cyclohexyl 6-propoxyhexanoate.
What is the SMILES notation for cyclohexyl 6-propoxyhexanoate?
The canonical SMILES for cyclohexyl 6-propoxyhexanoate is CCCOCCCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 6-propoxyhexanoate?
The InChIKey is GTAYSGXIAUCIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-12-17-13-8-4-7-11-15(16)18-14-9-5-3-6-10-14/h14H,2-13H2,1H3.
What are the key properties of cyclohexyl 6-propoxyhexanoate?
cyclohexyl 6-propoxyhexanoate has a molecular weight of 256.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-propoxyhexanoate is sourced from PubChem (CID 134561647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).