10-methoxy-2,10-dimethylundecanoic acid

C14H28O3 — CID 138478645

IUPAC10-methoxy-2,10-dimethylundecanoic acid
SMILESCOC(C)(C)CCCCCCCC(C)C(=O)O
InChIInChI=1S/C14H28O3/c1-12(13(15)16)10-8-6-5-7-9-11-14(2,3)17-4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyZPQCUYRWSSBBHC-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.86
Rot. Bonds10

About 10-methoxy-2,10-dimethylundecanoic acid

10-methoxy-2,10-dimethylundecanoic acid (PubChem CID 138478645) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 10-methoxy-2,10-dimethylundecanoic acid.

Molecular Properties

Compound Name10-methoxy-2,10-dimethylundecanoic acid
PubChem CID138478645
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name10-methoxy-2,10-dimethylundecanoic acid
SMILESCOC(C)(C)CCCCCCCC(C)C(=O)O
InChIInChI=1S/C14H28O3/c1-12(13(15)16)10-8-6-5-7-9-11-14(2,3)17-4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyZPQCUYRWSSBBHC-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

2,9,9-trimethyldecanoic acid
CID 142774628
2,2-bis(methoxycarbonyl)-12-methyltridecanedioic acid
CID 150914134
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
CID 170880719
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
heptane;2-methylheptadecanoic acid
CID 175511035
2-(2-ethylbutyl)-2,10-dimethylundecanedioic acid
CID 87569454
methyl octanoate;2-methyloctanoic acid
CID 160970117
7-hydroxy-12-methoxy-2,2,12-trimethyltridecanal
CID 58097527
methyl tetracosanoate;2-methyltetracosanoic acid
CID 87375877
2-methylhenicosanedioic acid
CID 21286141

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,10-dimethylundecanoic acid?
The IUPAC name of 10-methoxy-2,10-dimethylundecanoic acid (CID 138478645) is 10-methoxy-2,10-dimethylundecanoic acid.
What is the SMILES notation for 10-methoxy-2,10-dimethylundecanoic acid?
The canonical SMILES for 10-methoxy-2,10-dimethylundecanoic acid is COC(C)(C)CCCCCCCC(C)C(=O)O.
What is the InChIKey of 10-methoxy-2,10-dimethylundecanoic acid?
The InChIKey is ZPQCUYRWSSBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-12(13(15)16)10-8-6-5-7-9-11-14(2,3)17-4/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 10-methoxy-2,10-dimethylundecanoic acid?
10-methoxy-2,10-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 10-methoxy-2,10-dimethylundecanoic acid is sourced from PubChem (CID 138478645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).