cyclopropyl 2-hexyldecanoate

C19H36O2 — CID 174570245

IUPACcyclopropyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OC1CC1
InChIInChI=1S/C19H36O2/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(20)21-18-15-16-18/h17-18H,3-16H2,1-2H3
InChIKeyNBECGOLRGDANIH-UHFFFAOYSA-N
MW296.49 g/mol
LogP6.03
Rot. Bonds14

About cyclopropyl 2-hexyldecanoate

cyclopropyl 2-hexyldecanoate (PubChem CID 174570245) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is cyclopropyl 2-hexyldecanoate.

Molecular Properties

Compound Namecyclopropyl 2-hexyldecanoate
PubChem CID174570245
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Namecyclopropyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OC1CC1
InChIInChI=1S/C19H36O2/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(20)21-18-15-16-18/h17-18H,3-16H2,1-2H3
InChIKeyNBECGOLRGDANIH-UHFFFAOYSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 56.03
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

ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
[4-[4-[(2R)-2-fluorooctanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluorooctanoate
CID 56616838
2-propyldodecaneperoxoic acid
CID 23173793
methyl 2-undecyltridecanoate
CID 176610383
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
2-propylnonanoyl 2-propylnonanoate
CID 54359138

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-hexyldecanoate?
The IUPAC name of cyclopropyl 2-hexyldecanoate (CID 174570245) is cyclopropyl 2-hexyldecanoate.
What is the SMILES notation for cyclopropyl 2-hexyldecanoate?
The canonical SMILES for cyclopropyl 2-hexyldecanoate is CCCCCCCCC(CCCCCC)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2-hexyldecanoate?
The InChIKey is NBECGOLRGDANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(20)21-18-15-16-18/h17-18H,3-16H2,1-2H3.
What are the key properties of cyclopropyl 2-hexyldecanoate?
cyclopropyl 2-hexyldecanoate has a molecular weight of 296.49 g/mol, XLogP of 6.03, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-hexyldecanoate is sourced from PubChem (CID 174570245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).