1-(2-ethoxyethoxy)oct-2-yne

C12H22O2 — CID 169324331

IUPAC1-(2-ethoxyethoxy)oct-2-yne
SMILESCCCCCC#CCOCCOCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h3-7,10-12H2,1-2H3
InChIKeyIBVCGLNOHWUCBZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.62
Rot. Bonds8

About 1-(2-ethoxyethoxy)oct-2-yne

1-(2-ethoxyethoxy)oct-2-yne (PubChem CID 169324331) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)oct-2-yne.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)oct-2-yne
PubChem CID169324331
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(2-ethoxyethoxy)oct-2-yne
SMILESCCCCCC#CCOCCOCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h3-7,10-12H2,1-2H3
InChIKeyIBVCGLNOHWUCBZ-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
CID 10517912
henicos-8-yne
CID 22224321
1-methoxyundeca-2,5-diyne
CID 15141027
1-[(2-methylpropan-2-yl)oxy]dec-2-yne
CID 102173268
(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine
CID 87250707
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
2-(2-ethoxyethoxy)ethyl hexadec-1-ynoxy sulfate
CID 142735603

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)oct-2-yne?
The IUPAC name of 1-(2-ethoxyethoxy)oct-2-yne (CID 169324331) is 1-(2-ethoxyethoxy)oct-2-yne.
What is the SMILES notation for 1-(2-ethoxyethoxy)oct-2-yne?
The canonical SMILES for 1-(2-ethoxyethoxy)oct-2-yne is CCCCCC#CCOCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)oct-2-yne?
The InChIKey is IBVCGLNOHWUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h3-7,10-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)oct-2-yne?
1-(2-ethoxyethoxy)oct-2-yne has a molecular weight of 198.31 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)oct-2-yne is sourced from PubChem (CID 169324331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).