2-cyclododecyloxyacetic acid

C14H26O3 — CID 19371812

IUPAC2-cyclododecyloxyacetic acid
SMILESO=C(O)COC1CCCCCCCCCCC1
InChIInChI=1S/C14H26O3/c15-14(16)12-17-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2,(H,15,16)
InChIKeyGQEQLRQVQDHQAD-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.76
Rot. Bonds3

About 2-cyclododecyloxyacetic acid

2-cyclododecyloxyacetic acid (PubChem CID 19371812) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclododecyloxyacetic acid.

Molecular Properties

Compound Name2-cyclododecyloxyacetic acid
PubChem CID19371812
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-cyclododecyloxyacetic acid
SMILESO=C(O)COC1CCCCCCCCCCC1
InChIInChI=1S/C14H26O3/c15-14(16)12-17-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2,(H,15,16)
InChIKeyGQEQLRQVQDHQAD-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61069533
lithium;benzene;2-cyclohexyloxyacetic acid
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2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
CID 115729870
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
CID 114228011
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
3-cyclopentyloxypropanoic acid
CID 24706641
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
4-cyclopentyloxy-3-methylbut-2-enoic acid
CID 77005467
1-cyclohexyloxy-4,4-dimethylpentan-2-one
CID 174714490

Frequently Asked Questions

What is the IUPAC name of 2-cyclododecyloxyacetic acid?
The IUPAC name of 2-cyclododecyloxyacetic acid (CID 19371812) is 2-cyclododecyloxyacetic acid.
What is the SMILES notation for 2-cyclododecyloxyacetic acid?
The canonical SMILES for 2-cyclododecyloxyacetic acid is O=C(O)COC1CCCCCCCCCCC1.
What is the InChIKey of 2-cyclododecyloxyacetic acid?
The InChIKey is GQEQLRQVQDHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c15-14(16)12-17-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2,(H,15,16).
What are the key properties of 2-cyclododecyloxyacetic acid?
2-cyclododecyloxyacetic acid has a molecular weight of 242.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecyloxyacetic acid is sourced from PubChem (CID 19371812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).