4-ethyl-6-methoxyhex-2-yne

C9H16O — CID 178086541

IUPAC4-ethyl-6-methoxyhex-2-yne
SMILESCC#CC(CC)CCOC
InChIInChI=1S/C9H16O/c1-4-6-9(5-2)7-8-10-3/h9H,5,7-8H2,1-3H3
InChIKeyZTUJWZQYHSGRTH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds4

About 4-ethyl-6-methoxyhex-2-yne

4-ethyl-6-methoxyhex-2-yne (PubChem CID 178086541) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethyl-6-methoxyhex-2-yne.

Molecular Properties

Compound Name4-ethyl-6-methoxyhex-2-yne
PubChem CID178086541
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethyl-6-methoxyhex-2-yne
SMILESCC#CC(CC)CCOC
InChIInChI=1S/C9H16O/c1-4-6-9(5-2)7-8-10-3/h9H,5,7-8H2,1-3H3
InChIKeyZTUJWZQYHSGRTH-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethylhept-5-yn-1-ol
CID 130152282
1-methoxypentane-3-thiol
CID 21429489
2-ethyl-N-iodopent-3-yn-1-amine
CID 141086780
3-fluoro-1-methoxypentane
CID 159134850
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
4,5,6-trimethyloct-2-yne
CID 22223926
methyl 2,5-dihydroxyoct-6-ynoate
CID 88767586
7-methoxy-2,2,5-trimethylhept-3-yne
CID 170609119
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
2-ethyl-4-methoxybutan-1-ol
CID 66058779
3,4-bis(methoxymethyl)hexane
CID 142709823

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxyhex-2-yne?
The IUPAC name of 4-ethyl-6-methoxyhex-2-yne (CID 178086541) is 4-ethyl-6-methoxyhex-2-yne.
What is the SMILES notation for 4-ethyl-6-methoxyhex-2-yne?
The canonical SMILES for 4-ethyl-6-methoxyhex-2-yne is CC#CC(CC)CCOC.
What is the InChIKey of 4-ethyl-6-methoxyhex-2-yne?
The InChIKey is ZTUJWZQYHSGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-9(5-2)7-8-10-3/h9H,5,7-8H2,1-3H3.
What are the key properties of 4-ethyl-6-methoxyhex-2-yne?
4-ethyl-6-methoxyhex-2-yne has a molecular weight of 140.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxyhex-2-yne is sourced from PubChem (CID 178086541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).