cycloheptyl 6-ethoxyhexanoate

C15H28O3 — CID 134561724

IUPACcycloheptyl 6-ethoxyhexanoate
SMILESCCOCCCCCC(=O)OC1CCCCCC1
InChIInChI=1S/C15H28O3/c1-2-17-13-9-5-8-12-15(16)18-14-10-6-3-4-7-11-14/h14H,2-13H2,1H3
InChIKeyDUHCXBVSRHXGCQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.85
Rot. Bonds8

About cycloheptyl 6-ethoxyhexanoate

cycloheptyl 6-ethoxyhexanoate (PubChem CID 134561724) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is cycloheptyl 6-ethoxyhexanoate.

Molecular Properties

Compound Namecycloheptyl 6-ethoxyhexanoate
PubChem CID134561724
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namecycloheptyl 6-ethoxyhexanoate
SMILESCCOCCCCCC(=O)OC1CCCCCC1
InChIInChI=1S/C15H28O3/c1-2-17-13-9-5-8-12-15(16)18-14-10-6-3-4-7-11-14/h14H,2-13H2,1H3
InChIKeyDUHCXBVSRHXGCQ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
dicyclohexyl pentanedioate
CID 15593941
cyclobutyl pentadecanoate
CID 46229794
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
(3-methoxycyclohexyl) 4-ethoxybutanoate
CID 78885793
cyclopropyl decanoate
CID 154321154
cyclohexyl 5-ethenoxypentanoate
CID 57037035
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
cyclooctyl 7-aminoheptanoate
CID 21259475

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 6-ethoxyhexanoate?
The IUPAC name of cycloheptyl 6-ethoxyhexanoate (CID 134561724) is cycloheptyl 6-ethoxyhexanoate.
What is the SMILES notation for cycloheptyl 6-ethoxyhexanoate?
The canonical SMILES for cycloheptyl 6-ethoxyhexanoate is CCOCCCCCC(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 6-ethoxyhexanoate?
The InChIKey is DUHCXBVSRHXGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-17-13-9-5-8-12-15(16)18-14-10-6-3-4-7-11-14/h14H,2-13H2,1H3.
What are the key properties of cycloheptyl 6-ethoxyhexanoate?
cycloheptyl 6-ethoxyhexanoate has a molecular weight of 256.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 6-ethoxyhexanoate is sourced from PubChem (CID 134561724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).