undec-10-en-2-ynoic acid

C11H16O2 — CID 134988381

IUPACundec-10-en-2-ynoic acid
SMILESC=CCCCCCCC#CC(=O)O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-8H2,(H,12,13)
InChIKeyFAQSBJWJUNVNHL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds6

About undec-10-en-2-ynoic acid

undec-10-en-2-ynoic acid (PubChem CID 134988381) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is undec-10-en-2-ynoic acid.

Molecular Properties

Compound Nameundec-10-en-2-ynoic acid
PubChem CID134988381
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameundec-10-en-2-ynoic acid
SMILESC=CCCCCCCC#CC(=O)O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-8H2,(H,12,13)
InChIKeyFAQSBJWJUNVNHL-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptadec-2-ynoic acid
CID 22600366
prop-2-enoic acid;undec-10-enenitrile
CID 118123784
methyl tetradec-13-en-2,8-diynoate
CID 10944315
isocyanic acid;undec-10-enoic acid
CID 172822510
10-methoxydec-2-ynoic acid
CID 134919071
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
isocyanic acid;methane;non-8-enoic acid
CID 174797729
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392

Frequently Asked Questions

What is the IUPAC name of undec-10-en-2-ynoic acid?
The IUPAC name of undec-10-en-2-ynoic acid (CID 134988381) is undec-10-en-2-ynoic acid.
What is the SMILES notation for undec-10-en-2-ynoic acid?
The canonical SMILES for undec-10-en-2-ynoic acid is C=CCCCCCCC#CC(=O)O.
What is the InChIKey of undec-10-en-2-ynoic acid?
The InChIKey is FAQSBJWJUNVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-8H2,(H,12,13).
What are the key properties of undec-10-en-2-ynoic acid?
undec-10-en-2-ynoic acid has a molecular weight of 180.25 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-en-2-ynoic acid is sourced from PubChem (CID 134988381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).