2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid

C21H38O3 — CID 134457154

IUPAC2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
SMILESO=C(O)CC1CCCCCCCC(OCC2CCCCCCC2)C1
InChIInChI=1S/C21H38O3/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2,(H,22,23)
InChIKeyFHUGLIYIBZAZFL-UHFFFAOYSA-N
MW338.53 g/mol
LogP5.96
Rot. Bonds5

About 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid

2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid (PubChem CID 134457154) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
PubChem CID134457154
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
SMILESO=C(O)CC1CCCCCCCC(OCC2CCCCCCC2)C1
InChIInChI=1S/C21H38O3/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2,(H,22,23)
InChIKeyFHUGLIYIBZAZFL-UHFFFAOYSA-N
XLogP5.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid?
The IUPAC name of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid (CID 134457154) is 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid?
The canonical SMILES for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid is O=C(O)CC1CCCCCCCC(OCC2CCCCCCC2)C1.
What is the InChIKey of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid?
The InChIKey is FHUGLIYIBZAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2,(H,22,23).
What are the key properties of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid?
2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid has a molecular weight of 338.53 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid is sourced from PubChem (CID 134457154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).