cyclobutyl pentadecanoate

C19H36O2 — CID 46229794

IUPACcyclobutyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC1CCC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19(20)21-18-15-14-16-18/h18H,2-17H2,1H3
InChIKeyKJTGZTHGSWTOKS-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.17
Rot. Bonds14

About cyclobutyl pentadecanoate

cyclobutyl pentadecanoate (PubChem CID 46229794) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is cyclobutyl pentadecanoate.

Molecular Properties

Compound Namecyclobutyl pentadecanoate
PubChem CID46229794
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Namecyclobutyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC1CCC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19(20)21-18-15-14-16-18/h18H,2-17H2,1H3
InChIKeyKJTGZTHGSWTOKS-UHFFFAOYSA-N
XLogP6.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
cyclopropyl decanoate
CID 154321154
(1,1-dimethylazepan-1-ium-4-yl) octadecanoate
CID 110188471
[4-[(Z)-octadec-9-enoyl]oxycyclohexyl] (Z)-octadec-9-enoate
CID 101255389
(4-hexadecanoyloxycyclohexyl) (Z)-octadec-9-enoate
CID 101255387
(1-hydroxypiperidin-4-yl) octanoate
CID 21019115
cyclobutyl 4-bromobutanoate
CID 591081
(1-ethyl-1-methylazepan-1-ium-4-yl) octadecanoate
CID 110188475
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
dicyclohexyl pentanedioate
CID 15593941

Frequently Asked Questions

What is the IUPAC name of cyclobutyl pentadecanoate?
The IUPAC name of cyclobutyl pentadecanoate (CID 46229794) is cyclobutyl pentadecanoate.
What is the SMILES notation for cyclobutyl pentadecanoate?
The canonical SMILES for cyclobutyl pentadecanoate is CCCCCCCCCCCCCCC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl pentadecanoate?
The InChIKey is KJTGZTHGSWTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19(20)21-18-15-14-16-18/h18H,2-17H2,1H3.
What are the key properties of cyclobutyl pentadecanoate?
cyclobutyl pentadecanoate has a molecular weight of 296.50 g/mol, XLogP of 6.17, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl pentadecanoate is sourced from PubChem (CID 46229794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).