2-(2-ethylcyclopropyl)ethyl hexanoate

C13H24O2 — CID 45095067

IUPAC2-(2-ethylcyclopropyl)ethyl hexanoate
SMILESCCCCCC(=O)OCCC1CC1CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-13(14)15-9-8-12-10-11(12)4-2/h11-12H,3-10H2,1-2H3
InChIKeyFMHPTCKQGZXYSD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.55
Rot. Bonds8

About 2-(2-ethylcyclopropyl)ethyl hexanoate

2-(2-ethylcyclopropyl)ethyl hexanoate (PubChem CID 45095067) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2-ethylcyclopropyl)ethyl hexanoate.

Molecular Properties

Compound Name2-(2-ethylcyclopropyl)ethyl hexanoate
PubChem CID45095067
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2-ethylcyclopropyl)ethyl hexanoate
SMILESCCCCCC(=O)OCCC1CC1CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-13(14)15-9-8-12-10-11(12)4-2/h11-12H,3-10H2,1-2H3
InChIKeyFMHPTCKQGZXYSD-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.55
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-(dimethylamino)propyl 8-(2-octylcyclopropyl)octanoate
CID 58163593
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
pentyl hexanoate
CID 10886
5-cyclopropylpentyl tetradecanoate
CID 21445891
9-cyclopropylnonyl hexanoate
CID 21445837
methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
2-bromoethyl hexanoate
CID 22688
octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
octyl decanoate
CID 175814959

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclopropyl)ethyl hexanoate?
The IUPAC name of 2-(2-ethylcyclopropyl)ethyl hexanoate (CID 45095067) is 2-(2-ethylcyclopropyl)ethyl hexanoate.
What is the SMILES notation for 2-(2-ethylcyclopropyl)ethyl hexanoate?
The canonical SMILES for 2-(2-ethylcyclopropyl)ethyl hexanoate is CCCCCC(=O)OCCC1CC1CC.
What is the InChIKey of 2-(2-ethylcyclopropyl)ethyl hexanoate?
The InChIKey is FMHPTCKQGZXYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-13(14)15-9-8-12-10-11(12)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethylcyclopropyl)ethyl hexanoate?
2-(2-ethylcyclopropyl)ethyl hexanoate has a molecular weight of 212.33 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclopropyl)ethyl hexanoate is sourced from PubChem (CID 45095067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).