4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol

C25H28O2 — CID 126721359

IUPAC4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol
SMILESC#CC(O)C(CC)CCCC.C#CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H10O.C10H18O/c1-2-15(16)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-4-7-8-9(5-2)10(11)6-3/h1,3-10,16H;3,9-11H,4-5,7-8H2,1-2H3
InChIKeyIWAMUWIKPBLJFK-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.73
Rot. Bonds5

About 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol

4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol (PubChem CID 126721359) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol.

Molecular Properties

Compound Name4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol
PubChem CID126721359
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol
SMILESC#CC(O)C(CC)CCCC.C#CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H10O.C10H18O/c1-2-15(16)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-4-7-8-9(5-2)10(11)6-3/h1,3-10,16H;3,9-11H,4-5,7-8H2,1-2H3
InChIKeyIWAMUWIKPBLJFK-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-diethynylanthracene-9,10-diol
CID 139175436
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764
1-(3-chloro-2-methylphenyl)-4-ethyloct-1-yn-3-ol
CID 146002911
2-ethynyl-9,9-dioctylfluorene
CID 18442166
9,9-didecylfluorene
CID 5135289
4-ethyl-1-iodooct-1-yn-3-ol
CID 88753955
9,9-di(docosyl)fluorene
CID 22568526
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
2-ethynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 10561550
5,7-diethylundecan-6-ol
CID 89253066
9-but-2-ynylfluoren-9-ol
CID 155470796
N,4-diethyloct-1-yn-3-amine
CID 104995536

Frequently Asked Questions

What is the IUPAC name of 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol?
The IUPAC name of 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol (CID 126721359) is 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol.
What is the SMILES notation for 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol?
The canonical SMILES for 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol is C#CC(O)C(CC)CCCC.C#CC1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol?
The InChIKey is IWAMUWIKPBLJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O.C10H18O/c1-2-15(16)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-4-7-8-9(5-2)10(11)6-3/h1,3-10,16H;3,9-11H,4-5,7-8H2,1-2H3.
What are the key properties of 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol?
4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol has a molecular weight of 360.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloct-1-yn-3-ol;9-ethynylfluoren-9-ol is sourced from PubChem (CID 126721359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).