nona-4,6-dien-2-yn-1-ol

C9H12O — CID 21134116

IUPACnona-4,6-dien-2-yn-1-ol
SMILESCCC=CC=CC#CCO
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-6,10H,2,9H2,1H3
InChIKeyBWKKKMKAZOJWOM-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.50
Rot. Bonds2

About nona-4,6-dien-2-yn-1-ol

nona-4,6-dien-2-yn-1-ol (PubChem CID 21134116) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is nona-4,6-dien-2-yn-1-ol.

Molecular Properties

Compound Namenona-4,6-dien-2-yn-1-ol
PubChem CID21134116
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namenona-4,6-dien-2-yn-1-ol
SMILESCCC=CC=CC#CCO
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-6,10H,2,9H2,1H3
InChIKeyBWKKKMKAZOJWOM-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-Octadien-1-ol, (3Z,5E)-
CID 59164020
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
CID 131752390
(3E,5Z)-3,5-Octadien-1-ol
CID 87170471
Tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 71353587
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
CID 14412218
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
CID 14443153
Aethusanol B
CID 15558458
Tetradeca-4,6,12-triene-8,10-diyn-1-ol
CID 71354562
Trideca-3,5-dien-7,9,11-triyn-1-ol
CID 85770432
Tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 86103370
(8E,10E)-trideca-8,10-dien-4,6-diyn-1-ol
CID 101412725

Frequently Asked Questions

What is the IUPAC name of nona-4,6-dien-2-yn-1-ol?
The IUPAC name of nona-4,6-dien-2-yn-1-ol (CID 21134116) is nona-4,6-dien-2-yn-1-ol.
What is the SMILES notation for nona-4,6-dien-2-yn-1-ol?
The canonical SMILES for nona-4,6-dien-2-yn-1-ol is CCC=CC=CC#CCO.
What is the InChIKey of nona-4,6-dien-2-yn-1-ol?
The InChIKey is BWKKKMKAZOJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-6,10H,2,9H2,1H3.
What are the key properties of nona-4,6-dien-2-yn-1-ol?
nona-4,6-dien-2-yn-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-4,6-dien-2-yn-1-ol is sourced from PubChem (CID 21134116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).