3-ethoxyoct-1-yne

C10H18O — CID 20555693

IUPAC3-ethoxyoct-1-yne
SMILESC#CC(CCCCC)OCC
InChIInChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h2,10H,4,6-9H2,1,3H3
InChIKeyFNCGCIDYIVDDHX-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.61
Rot. Bonds6

About 3-ethoxyoct-1-yne

3-ethoxyoct-1-yne (PubChem CID 20555693) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-ethoxyoct-1-yne.

Molecular Properties

Compound Name3-ethoxyoct-1-yne
PubChem CID20555693
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-ethoxyoct-1-yne
SMILESC#CC(CCCCC)OCC
InChIInChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h2,10H,4,6-9H2,1,3H3
InChIKeyFNCGCIDYIVDDHX-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.61
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

3-prop-2-enoxyoct-1-yne
CID 11126647
trimethyl-[(3R)-oct-1-yn-3-yl]oxysilane
CID 129404520
2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
CID 123893001
ethyl oct-1-yn-3-yl carbonate
CID 15190953
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane
CID 10333708
(3R)-3-methyloct-1-yne
CID 59216928
9-ethoxyoctadecane
CID 87148376
2-ethoxytridecane
CID 54143367
2,2-dimethyl-3-(2-oct-1-yn-3-yloxypropan-2-yl)undecane
CID 152731804
4-ethynyldodecane
CID 15570330
tert-butyl non-1-yn-3-yl carbonate
CID 101420781

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyoct-1-yne?
The IUPAC name of 3-ethoxyoct-1-yne (CID 20555693) is 3-ethoxyoct-1-yne.
What is the SMILES notation for 3-ethoxyoct-1-yne?
The canonical SMILES for 3-ethoxyoct-1-yne is C#CC(CCCCC)OCC.
What is the InChIKey of 3-ethoxyoct-1-yne?
The InChIKey is FNCGCIDYIVDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h2,10H,4,6-9H2,1,3H3.
What are the key properties of 3-ethoxyoct-1-yne?
3-ethoxyoct-1-yne has a molecular weight of 154.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyoct-1-yne is sourced from PubChem (CID 20555693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).