dec-5-yn-3-ol

C10H18O — CID 15535879

IUPACdec-5-yn-3-ol
SMILESCCCCC#CCC(O)CC
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-6,9H2,1-2H3
InChIKeyMIQSNVQFOYNLBA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds4

About dec-5-yn-3-ol

dec-5-yn-3-ol (PubChem CID 15535879) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is dec-5-yn-3-ol.

Molecular Properties

Compound Namedec-5-yn-3-ol
PubChem CID15535879
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namedec-5-yn-3-ol
SMILESCCCCC#CCC(O)CC
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-6,9H2,1-2H3
InChIKeyMIQSNVQFOYNLBA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
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 dec-5-yn-3-ol?
The IUPAC name of dec-5-yn-3-ol (CID 15535879) is dec-5-yn-3-ol.
What is the SMILES notation for dec-5-yn-3-ol?
The canonical SMILES for dec-5-yn-3-ol is CCCCC#CCC(O)CC.
What is the InChIKey of dec-5-yn-3-ol?
The InChIKey is MIQSNVQFOYNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-6,9H2,1-2H3.
What are the key properties of dec-5-yn-3-ol?
dec-5-yn-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-yn-3-ol is sourced from PubChem (CID 15535879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).