butyl 2-(3-hydroxycyclobutyl)oxyacetate

C10H18O4 — CID 139512453

IUPACbutyl 2-(3-hydroxycyclobutyl)oxyacetate
SMILESCCCCOC(=O)COC1CC(O)C1
InChIInChI=1S/C10H18O4/c1-2-3-4-13-10(12)7-14-9-5-8(11)6-9/h8-9,11H,2-7H2,1H3
InChIKeyZSJYBPXFHAHUOE-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.87
Rot. Bonds6

About butyl 2-(3-hydroxycyclobutyl)oxyacetate

butyl 2-(3-hydroxycyclobutyl)oxyacetate (PubChem CID 139512453) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is butyl 2-(3-hydroxycyclobutyl)oxyacetate.

Molecular Properties

Compound Namebutyl 2-(3-hydroxycyclobutyl)oxyacetate
PubChem CID139512453
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namebutyl 2-(3-hydroxycyclobutyl)oxyacetate
SMILESCCCCOC(=O)COC1CC(O)C1
InChIInChI=1S/C10H18O4/c1-2-3-4-13-10(12)7-14-9-5-8(11)6-9/h8-9,11H,2-7H2,1H3
InChIKeyZSJYBPXFHAHUOE-UHFFFAOYSA-N
XLogP0.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.87
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

butyl 2-[3-(phenoxycarbothioyloxymethyl)cyclobutyl]oxyacetate
CID 139512412
3-propoxycyclobutan-1-ol
CID 66343734
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
dibutyl heptadecanedioate
CID 87117348
butyl 2-methanidyloxyacetate;rutherfordium
CID 155657474
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
propyl 2-piperidin-4-yloxyacetate
CID 63871576
butyl pentacosanoate
CID 54548273

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-hydroxycyclobutyl)oxyacetate?
The IUPAC name of butyl 2-(3-hydroxycyclobutyl)oxyacetate (CID 139512453) is butyl 2-(3-hydroxycyclobutyl)oxyacetate.
What is the SMILES notation for butyl 2-(3-hydroxycyclobutyl)oxyacetate?
The canonical SMILES for butyl 2-(3-hydroxycyclobutyl)oxyacetate is CCCCOC(=O)COC1CC(O)C1.
What is the InChIKey of butyl 2-(3-hydroxycyclobutyl)oxyacetate?
The InChIKey is ZSJYBPXFHAHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-13-10(12)7-14-9-5-8(11)6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of butyl 2-(3-hydroxycyclobutyl)oxyacetate?
butyl 2-(3-hydroxycyclobutyl)oxyacetate has a molecular weight of 202.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-hydroxycyclobutyl)oxyacetate is sourced from PubChem (CID 139512453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).