(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate

C10H18O3 — CID 118138159

IUPAC(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate
SMILESCC1(O)CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H18O3/c1-9(2,3)8(11)13-7-5-10(4,12)6-7/h7,12H,5-6H2,1-4H3
InChIKeyLMJUOMWSYXRBSE-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds1

About (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate

(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate (PubChem CID 118138159) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate
PubChem CID118138159
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate
SMILESCC1(O)CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H18O3/c1-9(2,3)8(11)13-7-5-10(4,12)6-7/h7,12H,5-6H2,1-4H3
InChIKeyLMJUOMWSYXRBSE-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxycyclobutyl 2,2-dimethylpropanoate
CID 57515871
4-Hydroxy-4-methylpentan-2-yl acetate
CID 10057799
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate
CID 518074
[(2R)-4-hydroxy-4-methylpentan-2-yl] butanoate
CID 13549026
[(3R)-3-hydroxybutyl] 2,2-dimethylpropanoate
CID 15003272
3-Hydroxybutyl 2,2-dimethylpropanoate
CID 15003273
4-Hydroxybutan-2-yl 2,2-dimethylpropanoate
CID 15128954
(4-Hydroxy-2-methylpentan-2-yl) acetate
CID 19911160
3-Hydroxypentyl 2,2-dimethylpropanoate
CID 21690162
(3-Hydroxy-3-methylbutyl) propanoate
CID 53911190
(3-Hydroxy-2-methylbutyl) 2,2-dimethylpropanoate
CID 54126713
(4-Hydroxy-2-methylpentan-2-yl) 2-methylpropanoate
CID 57212502

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate (CID 118138159) is (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate is CC1(O)CC(OC(=O)C(C)(C)C)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate?
The InChIKey is LMJUOMWSYXRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,3)8(11)13-7-5-10(4,12)6-7/h7,12H,5-6H2,1-4H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate?
(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 118138159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).