methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate

C14H26O3 — CID 66289634

IUPACmethyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
SMILESCCC(C)(C)C1CCC(C(O)C(=O)OC)CC1
InChIInChI=1S/C14H26O3/c1-5-14(2,3)11-8-6-10(7-9-11)12(15)13(16)17-4/h10-12,15H,5-9H2,1-4H3
InChIKeyFYNVLOVCMBEBOJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate

methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate (PubChem CID 66289634) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
PubChem CID66289634
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
SMILESCCC(C)(C)C1CCC(C(O)C(=O)OC)CC1
InChIInChI=1S/C14H26O3/c1-5-14(2,3)11-8-6-10(7-9-11)12(15)13(16)17-4/h10-12,15H,5-9H2,1-4H3
InChIKeyFYNVLOVCMBEBOJ-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
(E)-4-[2-methyl-1-[4-(2-methylbutan-2-yl)cyclohexyl]propoxy]-4-oxobut-2-enoic acid
CID 172565490
2-hydroxy-1-[4-(2-methylbutan-2-yl)cyclohexyl]ethanone
CID 140868985

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate (CID 66289634) is methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate is CCC(C)(C)C1CCC(C(O)C(=O)OC)CC1.
What is the InChIKey of methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate?
The InChIKey is FYNVLOVCMBEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-14(2,3)11-8-6-10(7-9-11)12(15)13(16)17-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate?
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate has a molecular weight of 242.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate is sourced from PubChem (CID 66289634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).