1-oct-3-ynoxynonane

C17H32O — CID 175464713

IUPAC1-oct-3-ynoxynonane
SMILESCCCCC#CCCOCCCCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-9,11,13-17H2,1-2H3
InChIKeyXJINPYHXJZHDGG-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.34
Rot. Bonds12

About 1-oct-3-ynoxynonane

1-oct-3-ynoxynonane (PubChem CID 175464713) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-oct-3-ynoxynonane.

Molecular Properties

Compound Name1-oct-3-ynoxynonane
PubChem CID175464713
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-oct-3-ynoxynonane
SMILESCCCCC#CCCOCCCCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-9,11,13-17H2,1-2H3
InChIKeyXJINPYHXJZHDGG-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
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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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
6-(hexoxymethoxy)hex-3-yn-1-ol
CID 164728505
5-butoxypent-2-yn-1-ol
CID 89211895
CID 159036796
CID 159036796
CID 159860963
CID 159860963

Frequently Asked Questions

What is the IUPAC name of 1-oct-3-ynoxynonane?
The IUPAC name of 1-oct-3-ynoxynonane (CID 175464713) is 1-oct-3-ynoxynonane.
What is the SMILES notation for 1-oct-3-ynoxynonane?
The canonical SMILES for 1-oct-3-ynoxynonane is CCCCC#CCCOCCCCCCCCC.
What is the InChIKey of 1-oct-3-ynoxynonane?
The InChIKey is XJINPYHXJZHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-9,11,13-17H2,1-2H3.
What are the key properties of 1-oct-3-ynoxynonane?
1-oct-3-ynoxynonane has a molecular weight of 252.44 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-3-ynoxynonane is sourced from PubChem (CID 175464713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).