1-hydroxypentyl 2,2-dimethylpropanoate

C10H20O3 — CID 141093602

IUPAC1-hydroxypentyl 2,2-dimethylpropanoate
SMILESCCCCC(O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-5-6-7-8(11)13-9(12)10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyBGDOYDHZAJYZIJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.08
Rot. Bonds4

About 1-hydroxypentyl 2,2-dimethylpropanoate

1-hydroxypentyl 2,2-dimethylpropanoate (PubChem CID 141093602) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-hydroxypentyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-hydroxypentyl 2,2-dimethylpropanoate
PubChem CID141093602
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-hydroxypentyl 2,2-dimethylpropanoate
SMILESCCCCC(O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-5-6-7-8(11)13-9(12)10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyBGDOYDHZAJYZIJ-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-hydroxypentyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-hydroxydodecyl) carbonate
CID 141306739
3-(1-hydroxypentoxy)-3-oxopropanoic acid
CID 88689940
2,2-dimethylpropanoyl 2-ethylhexanoate
CID 57098053
3-methyldecan-2-yl 2,2-dimethylpropanoate
CID 118141002
1-hydroxytetradecyl acetate
CID 6365614
2-methylnonan-4-yl 2,2-dimethylpropanoate
CID 140617078
[(2R,3S)-2-hydroxy-3-propylheptyl] 2,2-dimethylpropanoate
CID 10244256
3-propylhexan-2-yl 2,2-dimethylpropanoate
CID 170042299
1,4-dihydroxybutyl 2-octyl-2-sulfanyldecanoate;stannane
CID 173453102
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
1-hydroxypentyl 2-methylprop-2-enoate;phosphoric acid
CID 175051350
icosan-9-yl 2,2-dimethylpropanoate;pentyl acetate
CID 157301449

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypentyl 2,2-dimethylpropanoate?
The IUPAC name of 1-hydroxypentyl 2,2-dimethylpropanoate (CID 141093602) is 1-hydroxypentyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-hydroxypentyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-hydroxypentyl 2,2-dimethylpropanoate is CCCCC(O)OC(=O)C(C)(C)C.
What is the InChIKey of 1-hydroxypentyl 2,2-dimethylpropanoate?
The InChIKey is BGDOYDHZAJYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-7-8(11)13-9(12)10(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of 1-hydroxypentyl 2,2-dimethylpropanoate?
1-hydroxypentyl 2,2-dimethylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypentyl 2,2-dimethylpropanoate is sourced from PubChem (CID 141093602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).