cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate

C14H24O4 — CID 155589409

IUPACcyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
SMILESCC(C)C(=O)OC(C)(C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-10(2)12(15)18-14(3,4)13(16)17-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyKMXJZWCOSYYGML-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds4

About cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate

cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate (PubChem CID 155589409) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
PubChem CID155589409
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namecyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
SMILESCC(C)C(=O)OC(C)(C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-10(2)12(15)18-14(3,4)13(16)17-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyKMXJZWCOSYYGML-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
cyclohexyl 4-iodooxy-2,4-dimethyl-2-propan-2-ylpentanoate
CID 118422663
3-O-tert-butyl 1-O-cyclohexyl 2-aminopropanedioate
CID 174598991
cyclobutyl 2,2,2-triaminoacetate
CID 163606846
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclopropyl 2-methylpropanoate
CID 54511576
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The IUPAC name of cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate (CID 155589409) is cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate.
What is the SMILES notation for cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The canonical SMILES for cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate is CC(C)C(=O)OC(C)(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The InChIKey is KMXJZWCOSYYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(2)12(15)18-14(3,4)13(16)17-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate is sourced from PubChem (CID 155589409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).