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

C14H26O4 — CID 134457636

IUPAC2-[3-(methoxymethoxy)cyclodecyl]acetic acid
SMILESCOCOC1CCCCCCCC(CC(=O)O)C1
InChIInChI=1S/C14H26O4/c1-17-11-18-13-8-6-4-2-3-5-7-12(9-13)10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyVDMGXSWREJEUIR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.20
Rot. Bonds5

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

2-[3-(methoxymethoxy)cyclodecyl]acetic acid (PubChem CID 134457636) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)cyclodecyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)cyclodecyl]acetic acid
PubChem CID134457636
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[3-(methoxymethoxy)cyclodecyl]acetic acid
SMILESCOCOC1CCCCCCCC(CC(=O)O)C1
InChIInChI=1S/C14H26O4/c1-17-11-18-13-8-6-4-2-3-5-7-12(9-13)10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyVDMGXSWREJEUIR-UHFFFAOYSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)cyclodecyl]acetic acid?
The IUPAC name of 2-[3-(methoxymethoxy)cyclodecyl]acetic acid (CID 134457636) is 2-[3-(methoxymethoxy)cyclodecyl]acetic acid.
What is the SMILES notation for 2-[3-(methoxymethoxy)cyclodecyl]acetic acid?
The canonical SMILES for 2-[3-(methoxymethoxy)cyclodecyl]acetic acid is COCOC1CCCCCCCC(CC(=O)O)C1.
What is the InChIKey of 2-[3-(methoxymethoxy)cyclodecyl]acetic acid?
The InChIKey is VDMGXSWREJEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-17-11-18-13-8-6-4-2-3-5-7-12(9-13)10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-[3-(methoxymethoxy)cyclodecyl]acetic acid?
2-[3-(methoxymethoxy)cyclodecyl]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)cyclodecyl]acetic acid is sourced from PubChem (CID 134457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).