dec-9-en-6-yn-1-ol

C10H16O — CID 10898885

IUPACdec-9-en-6-yn-1-ol
SMILESC=CCC#CCCCCCO
InChIInChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3,6-10H2
InChIKeyHSLXEQVCALQGCB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds5

About dec-9-en-6-yn-1-ol

dec-9-en-6-yn-1-ol (PubChem CID 10898885) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is dec-9-en-6-yn-1-ol.

Molecular Properties

Compound Namedec-9-en-6-yn-1-ol
PubChem CID10898885
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedec-9-en-6-yn-1-ol
SMILESC=CCC#CCCCCCO
InChIInChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3,6-10H2
InChIKeyHSLXEQVCALQGCB-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of dec-9-en-6-yn-1-ol?
The IUPAC name of dec-9-en-6-yn-1-ol (CID 10898885) is dec-9-en-6-yn-1-ol.
What is the SMILES notation for dec-9-en-6-yn-1-ol?
The canonical SMILES for dec-9-en-6-yn-1-ol is C=CCC#CCCCCCO.
What is the InChIKey of dec-9-en-6-yn-1-ol?
The InChIKey is HSLXEQVCALQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3,6-10H2.
What are the key properties of dec-9-en-6-yn-1-ol?
dec-9-en-6-yn-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-en-6-yn-1-ol is sourced from PubChem (CID 10898885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).