4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid

C11H20O3 — CID 140923204

IUPAC4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid
SMILESCCC1OC(C)(C)C1CCCC(=O)O
InChIInChI=1S/C11H20O3/c1-4-9-8(11(2,3)14-9)6-5-7-10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyMOYCANHNFPWFIQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.44
Rot. Bonds5

About 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid

4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid (PubChem CID 140923204) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid
PubChem CID140923204
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid
SMILESCCC1OC(C)(C)C1CCCC(=O)O
InChIInChI=1S/C11H20O3/c1-4-9-8(11(2,3)14-9)6-5-7-10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyMOYCANHNFPWFIQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

17-[(2S,3R)-3-ethyloxiran-2-yl]heptadecanoic acid
CID 118711036
18-[(2R,3S)-3-ethyloxiran-2-yl]octadecanoic acid
CID 118711037
4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoic acid
CID 14588439
ethane-1,2-diol;3-(3-ethyloxiran-2-yl)propanoic acid
CID 174940719
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
8-[3-[(2R)-2-hydroxyoctyl]oxiran-2-yl]octanoic acid
CID 88778431
4-[3-[(5E,8E,11E)-tetradeca-5,8,11-trienyl]oxiran-2-yl]butanoic acid
CID 100914605
10-(3-methyloxiran-2-yl)decanoic acid
CID 141449209
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
8-[(3R)-3-(7-carboxyheptyl)oxiran-2-yl]octanoic acid
CID 87164539

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid?
The IUPAC name of 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid (CID 140923204) is 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid?
The canonical SMILES for 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid is CCC1OC(C)(C)C1CCCC(=O)O.
What is the InChIKey of 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid?
The InChIKey is MOYCANHNFPWFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-9-8(11(2,3)14-9)6-5-7-10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid?
4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,2-dimethyloxetan-3-yl)butanoic acid is sourced from PubChem (CID 140923204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).