2-methylpropyl 2-cyclohexylpropanoate

C13H24O2 — CID 21117146

IUPAC2-methylpropyl 2-cyclohexylpropanoate
SMILESCC(C)COC(=O)C(C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3
InChIKeyHTPZPEAQIBEMKD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds4

About 2-methylpropyl 2-cyclohexylpropanoate

2-methylpropyl 2-cyclohexylpropanoate (PubChem CID 21117146) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methylpropyl 2-cyclohexylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-cyclohexylpropanoate
PubChem CID21117146
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methylpropyl 2-cyclohexylpropanoate
SMILESCC(C)COC(=O)C(C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3
InChIKeyHTPZPEAQIBEMKD-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-cyclohexylpropanoate?
The IUPAC name of 2-methylpropyl 2-cyclohexylpropanoate (CID 21117146) is 2-methylpropyl 2-cyclohexylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-cyclohexylpropanoate?
The canonical SMILES for 2-methylpropyl 2-cyclohexylpropanoate is CC(C)COC(=O)C(C)C1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-cyclohexylpropanoate?
The InChIKey is HTPZPEAQIBEMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-methylpropyl 2-cyclohexylpropanoate?
2-methylpropyl 2-cyclohexylpropanoate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-cyclohexylpropanoate is sourced from PubChem (CID 21117146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).