dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate

C20H36O3 — CID 158607221

IUPACdicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(OC(C)(C)C)C(=O)OC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36O3/c1-15(23-20(2,3)4)19(21)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-18H,5-14H2,1-4H3
InChIKeyCWHBBCOUDMNFPQ-UHFFFAOYSA-N
MW324.50 g/mol
LogP5.26
Rot. Bonds5

About dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate

dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 158607221) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namedicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID158607221
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Namedicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(OC(C)(C)C)C(=O)OC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36O3/c1-15(23-20(2,3)4)19(21)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-18H,5-14H2,1-4H3
InChIKeyCWHBBCOUDMNFPQ-UHFFFAOYSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 84721149
[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate
CID 134485571
tert-butyl 4-cyclohexyl-4-methoxy-2-methyl-3-oxobutanoate
CID 116775028
tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
CID 22616826
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
1-cyclopentylethyl acetate
CID 12705472

Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate (CID 158607221) is dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate is CC(OC(C)(C)C)C(=O)OC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is CWHBBCOUDMNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-15(23-20(2,3)4)19(21)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-18H,5-14H2,1-4H3.
What are the key properties of dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 324.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 158607221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).