[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate

C16H28O2 — CID 126509359

IUPAC[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate
SMILESCCC(=O)OCC1(C)CC1C(C)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-4-15(17)18-11-16(3)10-14(16)12(2)13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3
InChIKeyPYILTAIZIKUNDV-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.18
Rot. Bonds5

About [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate

[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate (PubChem CID 126509359) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate.

Molecular Properties

Compound Name[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate
PubChem CID126509359
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate
SMILESCCC(=O)OCC1(C)CC1C(C)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-4-15(17)18-11-16(3)10-14(16)12(2)13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3
InChIKeyPYILTAIZIKUNDV-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propanoyloxyethyl 2-(3,3-dimethylcyclohexyl)propanoate
CID 142609752
[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate
CID 144950302
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
CID 142609759
(4-propanoyloxycyclohexyl) 2-methylbutanoate
CID 91531963
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
1-cyclopentylethylcyclohexane
CID 57034702
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-cyclopentylpropanoate
CID 10654733
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
propyl 2-amino-2-cyclohexylacetate
CID 61016884

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate?
The IUPAC name of [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate (CID 126509359) is [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate.
What is the SMILES notation for [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate?
The canonical SMILES for [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate is CCC(=O)OCC1(C)CC1C(C)C1CCCCC1.
What is the InChIKey of [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate?
The InChIKey is PYILTAIZIKUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-15(17)18-11-16(3)10-14(16)12(2)13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3.
What are the key properties of [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate?
[2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate has a molecular weight of 252.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclohexylethyl)-1-methylcyclopropyl]methyl propanoate is sourced from PubChem (CID 126509359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).