1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne

C18H30O3 — CID 10517912

IUPAC1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
SMILESC#CCOCCOCCOCC#CCCCCCCCC
InChIInChI=1S/C18H30O3/c1-3-5-6-7-8-9-10-11-12-14-20-16-18-21-17-15-19-13-4-2/h2H,3,5-10,13-18H2,1H3
InChIKeyGMISSDWYKXJHQG-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.42
Rot. Bonds14

About 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne

1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne (PubChem CID 10517912) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne.

Molecular Properties

Compound Name1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
PubChem CID10517912
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
SMILESC#CCOCCOCCOCC#CCCCCCCCC
InChIInChI=1S/C18H30O3/c1-3-5-6-7-8-9-10-11-12-14-20-16-18-21-17-15-19-13-4-2/h2H,3,5-10,13-18H2,1H3
InChIKeyGMISSDWYKXJHQG-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-ethoxyethoxy)oct-2-yne
CID 169324331
11-hexoxyundec-1-yne
CID 89349998
henicos-8-yne
CID 22224321
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
1-(prop-2-ynoxymethoxy)decane
CID 156529651
1-oct-3-ynoxynonane
CID 175464713
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107
1-[(2-methylpropan-2-yl)oxy]dec-2-yne
CID 102173268
oct-1-yne
CID 19597608
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
hept-1-yne;nonadeca-6,8-diyne
CID 91221383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne?
The IUPAC name of 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne (CID 10517912) is 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne.
What is the SMILES notation for 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne?
The canonical SMILES for 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne is C#CCOCCOCCOCC#CCCCCCCCC.
What is the InChIKey of 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne?
The InChIKey is GMISSDWYKXJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-5-6-7-8-9-10-11-12-14-20-16-18-21-17-15-19-13-4-2/h2H,3,5-10,13-18H2,1H3.
What are the key properties of 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne?
1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne has a molecular weight of 294.43 g/mol, XLogP of 3.42, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne is sourced from PubChem (CID 10517912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).