7-methoxy-2,2-dimethylundecanoic acid

C14H28O3 — CID 88582161

IUPAC7-methoxy-2,2-dimethylundecanoic acid
SMILESCCCCC(CCCCC(C)(C)C(=O)O)OC
InChIInChI=1S/C14H28O3/c1-5-6-9-12(17-4)10-7-8-11-14(2,3)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKMPPSFVPXLVBDI-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.86
Rot. Bonds10

About 7-methoxy-2,2-dimethylundecanoic acid

7-methoxy-2,2-dimethylundecanoic acid (PubChem CID 88582161) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethylundecanoic acid.

Molecular Properties

Compound Name7-methoxy-2,2-dimethylundecanoic acid
PubChem CID88582161
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name7-methoxy-2,2-dimethylundecanoic acid
SMILESCCCCC(CCCCC(C)(C)C(=O)O)OC
InChIInChI=1S/C14H28O3/c1-5-6-9-12(17-4)10-7-8-11-14(2,3)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKMPPSFVPXLVBDI-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
2,2-dimethyldocosanoic acid
CID 23471202
8-acetyl-12-acetyloxy-2,2-dimethylheptadecanoic acid
CID 88813513
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
7-acetyl-2,2,12,12-tetramethyltridecanedioic acid
CID 59125155
acetic acid;2-methoxyhexan-1-ol
CID 71318556
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
(5S)-5-methoxyundecane
CID 118889956
7-tert-butyl-2,2-dimethyloctanedioic acid
CID 87586628
3-methoxynonanoic acid
CID 139673009

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethylundecanoic acid?
The IUPAC name of 7-methoxy-2,2-dimethylundecanoic acid (CID 88582161) is 7-methoxy-2,2-dimethylundecanoic acid.
What is the SMILES notation for 7-methoxy-2,2-dimethylundecanoic acid?
The canonical SMILES for 7-methoxy-2,2-dimethylundecanoic acid is CCCCC(CCCCC(C)(C)C(=O)O)OC.
What is the InChIKey of 7-methoxy-2,2-dimethylundecanoic acid?
The InChIKey is KMPPSFVPXLVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-6-9-12(17-4)10-7-8-11-14(2,3)13(15)16/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 7-methoxy-2,2-dimethylundecanoic acid?
7-methoxy-2,2-dimethylundecanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethylundecanoic acid is sourced from PubChem (CID 88582161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).