2-methylideneundec-3-yn-1-ol

C12H20O — CID 134975743

IUPAC2-methylideneundec-3-yn-1-ol
SMILESC=C(C#CCCCCCCC)CO
InChIInChI=1S/C12H20O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h13H,2-8,11H2,1H3
InChIKeyYKKWZAIDWWXOGZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.90
Rot. Bonds6

About 2-methylideneundec-3-yn-1-ol

2-methylideneundec-3-yn-1-ol (PubChem CID 134975743) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methylideneundec-3-yn-1-ol.

Molecular Properties

Compound Name2-methylideneundec-3-yn-1-ol
PubChem CID134975743
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-methylideneundec-3-yn-1-ol
SMILESC=C(C#CCCCCCCC)CO
InChIInChI=1S/C12H20O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h13H,2-8,11H2,1H3
InChIKeyYKKWZAIDWWXOGZ-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 2-methylideneundec-3-yn-1-ol?
The IUPAC name of 2-methylideneundec-3-yn-1-ol (CID 134975743) is 2-methylideneundec-3-yn-1-ol.
What is the SMILES notation for 2-methylideneundec-3-yn-1-ol?
The canonical SMILES for 2-methylideneundec-3-yn-1-ol is C=C(C#CCCCCCCC)CO.
What is the InChIKey of 2-methylideneundec-3-yn-1-ol?
The InChIKey is YKKWZAIDWWXOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h13H,2-8,11H2,1H3.
What are the key properties of 2-methylideneundec-3-yn-1-ol?
2-methylideneundec-3-yn-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneundec-3-yn-1-ol is sourced from PubChem (CID 134975743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).