11-methoxyundec-1-yne

C12H22O — CID 71344386

IUPAC11-methoxyundec-1-yne
SMILESC#CCCCCCCCCCOC
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12-13-2/h1H,4-12H2,2H3
InChIKeyWDEANJXCKBZHTK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.39
Rot. Bonds9

About 11-methoxyundec-1-yne

11-methoxyundec-1-yne (PubChem CID 71344386) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 11-methoxyundec-1-yne.

Molecular Properties

Compound Name11-methoxyundec-1-yne
PubChem CID71344386
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name11-methoxyundec-1-yne
SMILESC#CCCCCCCCCCOC
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12-13-2/h1H,4-12H2,2H3
InChIKeyWDEANJXCKBZHTK-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-methoxyundec-1-yne?
The IUPAC name of 11-methoxyundec-1-yne (CID 71344386) is 11-methoxyundec-1-yne.
What is the SMILES notation for 11-methoxyundec-1-yne?
The canonical SMILES for 11-methoxyundec-1-yne is C#CCCCCCCCCCOC.
What is the InChIKey of 11-methoxyundec-1-yne?
The InChIKey is WDEANJXCKBZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12-13-2/h1H,4-12H2,2H3.
What are the key properties of 11-methoxyundec-1-yne?
11-methoxyundec-1-yne has a molecular weight of 182.31 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxyundec-1-yne is sourced from PubChem (CID 71344386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).