tert-butyl 2-(3-hydroxybutoxy)acetate

C10H20O4 — CID 175472725

IUPACtert-butyl 2-(3-hydroxybutoxy)acetate
SMILESCC(O)CCOCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-8(11)5-6-13-7-9(12)14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyRAMXVVYHPKECOY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.12
Rot. Bonds5

About tert-butyl 2-(3-hydroxybutoxy)acetate

tert-butyl 2-(3-hydroxybutoxy)acetate (PubChem CID 175472725) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxybutoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxybutoxy)acetate
PubChem CID175472725
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nametert-butyl 2-(3-hydroxybutoxy)acetate
SMILESCC(O)CCOCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-8(11)5-6-13-7-9(12)14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyRAMXVVYHPKECOY-UHFFFAOYSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
CID 167404760
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
tert-butyl 2-[2-[2-[(2S)-3-oxobutan-2-yl]oxyethoxy]ethoxy]acetate;(2S)-2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]propanoic acid
CID 158809556
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxybutoxy)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxybutoxy)acetate (CID 175472725) is tert-butyl 2-(3-hydroxybutoxy)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxybutoxy)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxybutoxy)acetate is CC(O)CCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-hydroxybutoxy)acetate?
The InChIKey is RAMXVVYHPKECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(11)5-6-13-7-9(12)14-10(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(3-hydroxybutoxy)acetate?
tert-butyl 2-(3-hydroxybutoxy)acetate has a molecular weight of 204.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxybutoxy)acetate is sourced from PubChem (CID 175472725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).