non-4-yn-2-ol

C9H16O — CID 11205796

IUPACnon-4-yn-2-ol
SMILESCCCCC#CCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-5,8H2,1-2H3
InChIKeyOYSBCOSYTPHPQP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds3

About non-4-yn-2-ol

non-4-yn-2-ol (PubChem CID 11205796) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-4-yn-2-ol.

Molecular Properties

Compound Namenon-4-yn-2-ol
PubChem CID11205796
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-4-yn-2-ol
SMILESCCCCC#CCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-5,8H2,1-2H3
InChIKeyOYSBCOSYTPHPQP-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
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 non-4-yn-2-ol?
The IUPAC name of non-4-yn-2-ol (CID 11205796) is non-4-yn-2-ol.
What is the SMILES notation for non-4-yn-2-ol?
The canonical SMILES for non-4-yn-2-ol is CCCCC#CCC(C)O.
What is the InChIKey of non-4-yn-2-ol?
The InChIKey is OYSBCOSYTPHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-5,8H2,1-2H3.
What are the key properties of non-4-yn-2-ol?
non-4-yn-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-4-yn-2-ol is sourced from PubChem (CID 11205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).