deca-4,6,8-triyn-1-ol

C10H10O — CID 12000449

IUPACdeca-4,6,8-triyn-1-ol
SMILESCC#CC#CC#CCCCO
InChIInChI=1S/C10H10O/c1-2-3-4-5-6-7-8-9-10-11/h11H,8-10H2,1H3
InChIKeyGBMVLGTXGKHYSC-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds2

About deca-4,6,8-triyn-1-ol

deca-4,6,8-triyn-1-ol (PubChem CID 12000449) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is deca-4,6,8-triyn-1-ol.

Molecular Properties

Compound Namedeca-4,6,8-triyn-1-ol
PubChem CID12000449
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Namedeca-4,6,8-triyn-1-ol
SMILESCC#CC#CC#CCCCO
InChIInChI=1S/C10H10O/c1-2-3-4-5-6-7-8-9-10-11/h11H,8-10H2,1H3
InChIKeyGBMVLGTXGKHYSC-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.79
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 deca-4,6,8-triyn-1-ol?
The IUPAC name of deca-4,6,8-triyn-1-ol (CID 12000449) is deca-4,6,8-triyn-1-ol.
What is the SMILES notation for deca-4,6,8-triyn-1-ol?
The canonical SMILES for deca-4,6,8-triyn-1-ol is CC#CC#CC#CCCCO.
What is the InChIKey of deca-4,6,8-triyn-1-ol?
The InChIKey is GBMVLGTXGKHYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-3-4-5-6-7-8-9-10-11/h11H,8-10H2,1H3.
What are the key properties of deca-4,6,8-triyn-1-ol?
deca-4,6,8-triyn-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,6,8-triyn-1-ol is sourced from PubChem (CID 12000449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).