1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne

C18H26O2 — CID 140966976

IUPAC1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne
SMILESC#CCCCCOC(C#CCCC)OC(C)CCC#C
InChIInChI=1S/C18H26O2/c1-5-8-11-13-16-19-18(15-12-9-6-2)20-17(4)14-10-7-3/h1,3,17-18H,6,8-11,13-14,16H2,2,4H3
InChIKeySVXNRJXIHORRPT-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.75
Rot. Bonds10

About 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne

1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne (PubChem CID 140966976) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne.

Molecular Properties

Compound Name1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne
PubChem CID140966976
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne
SMILESC#CCCCCOC(C#CCCC)OC(C)CCC#C
InChIInChI=1S/C18H26O2/c1-5-8-11-13-16-19-18(15-12-9-6-2)20-17(4)14-10-7-3/h1,3,17-18H,6,8-11,13-14,16H2,2,4H3
InChIKeySVXNRJXIHORRPT-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-hex-5-ynoxyhexane
CID 54235991
5-(3-ethoxypropoxy)hex-1-yne
CID 21485698
4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
CID 15003147
11-hexoxyundec-1-yne
CID 89349998
4-[1-(3-carboxypropoxy)non-2-ynoxy]butanoic acid
CID 15003142
7-ethylpentadeca-1,8-diyne
CID 91350029
5-ethylundeca-1,6-diyne
CID 173151584
2-dec-9-yn-2-yloxyacetic acid
CID 90708340
2-ethoxyhept-3-yne
CID 91390030
9-(hexoxymethoxy)non-1-yne
CID 156529681
9-(octoxymethoxy)non-1-yne
CID 156529699

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne?
The IUPAC name of 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne (CID 140966976) is 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne.
What is the SMILES notation for 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne?
The canonical SMILES for 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne is C#CCCCCOC(C#CCCC)OC(C)CCC#C.
What is the InChIKey of 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne?
The InChIKey is SVXNRJXIHORRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-8-11-13-16-19-18(15-12-9-6-2)20-17(4)14-10-7-3/h1,3,17-18H,6,8-11,13-14,16H2,2,4H3.
What are the key properties of 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne?
1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne has a molecular weight of 274.40 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne is sourced from PubChem (CID 140966976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).