10-methoxydec-2-ynoic acid

C11H18O3 — CID 134919071

IUPAC10-methoxydec-2-ynoic acid
SMILESCOCCCCCCCC#CC(=O)O
InChIInChI=1S/C11H18O3/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h2-6,8,10H2,1H3,(H,12,13)
InChIKeyIYAXNKNBVIHSCS-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds7

About 10-methoxydec-2-ynoic acid

10-methoxydec-2-ynoic acid (PubChem CID 134919071) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 10-methoxydec-2-ynoic acid.

Molecular Properties

Compound Name10-methoxydec-2-ynoic acid
PubChem CID134919071
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name10-methoxydec-2-ynoic acid
SMILESCOCCCCCCCC#CC(=O)O
InChIInChI=1S/C11H18O3/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h2-6,8,10H2,1H3,(H,12,13)
InChIKeyIYAXNKNBVIHSCS-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxypent-2-ynoic acid
CID 55302740
heptadec-2-ynoic acid
CID 22600366
6-ethoxyhex-2-ynoic acid
CID 13149575
10-oxohexadec-2-ynoic acid
CID 123950800
7-methoxy-2-oxoheptanoic acid
CID 91618473
undec-10-en-2-ynoic acid
CID 134988381
dimethyl nona-2,7-diynedioate
CID 11858703
(17R)-17-hydroxyhenicos-2-ynoic acid
CID 91327191
methyl undeca-2,10-diynoate
CID 125474899
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
17-methoxyheptadecan-2-one
CID 59530855
4-(7-methoxyheptoxy)butanoic acid
CID 15409527

Frequently Asked Questions

What is the IUPAC name of 10-methoxydec-2-ynoic acid?
The IUPAC name of 10-methoxydec-2-ynoic acid (CID 134919071) is 10-methoxydec-2-ynoic acid.
What is the SMILES notation for 10-methoxydec-2-ynoic acid?
The canonical SMILES for 10-methoxydec-2-ynoic acid is COCCCCCCCC#CC(=O)O.
What is the InChIKey of 10-methoxydec-2-ynoic acid?
The InChIKey is IYAXNKNBVIHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h2-6,8,10H2,1H3,(H,12,13).
What are the key properties of 10-methoxydec-2-ynoic acid?
10-methoxydec-2-ynoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxydec-2-ynoic acid is sourced from PubChem (CID 134919071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).