2-ethoxyundec-1-en-7-yne

C13H22O — CID 86074078

IUPAC2-ethoxyundec-1-en-7-yne
SMILESC=C(CCCCC#CCCC)OCC
InChIInChI=1S/C13H22O/c1-4-6-7-8-9-10-11-12-13(3)14-5-2/h3-6,9-12H2,1-2H3
InChIKeyUBXBTIHMACTOIE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds7

About 2-ethoxyundec-1-en-7-yne

2-ethoxyundec-1-en-7-yne (PubChem CID 86074078) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethoxyundec-1-en-7-yne.

Molecular Properties

Compound Name2-ethoxyundec-1-en-7-yne
PubChem CID86074078
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-ethoxyundec-1-en-7-yne
SMILESC=C(CCCCC#CCCC)OCC
InChIInChI=1S/C13H22O/c1-4-6-7-8-9-10-11-12-13(3)14-5-2/h3-6,9-12H2,1-2H3
InChIKeyUBXBTIHMACTOIE-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1-heptene
CID 551618
2-Ethoxydec-1-en-6-yne
CID 86074076
1-Hexene, 2-ethoxy-
CID 10376321
2-Butoxyhex-1-ene
CID 15578219
2-Ethoxyoct-1-ene
CID 20333583
2-Hept-1-en-2-yloxyhept-1-ene
CID 23221782
1-But-1-en-2-yloxyhexane
CID 57257919
2-Pentoxyhex-1-ene
CID 89028764
1-Pent-1-en-2-yloxypentane
CID 89028844
2-Ethoxyhept-1-ene
CID 91490980
2-Methylidene-5-oct-2-ynyloxolane
CID 147923116
2-Ethenoxyhept-1-ene
CID 153915727

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyundec-1-en-7-yne?
The IUPAC name of 2-ethoxyundec-1-en-7-yne (CID 86074078) is 2-ethoxyundec-1-en-7-yne.
What is the SMILES notation for 2-ethoxyundec-1-en-7-yne?
The canonical SMILES for 2-ethoxyundec-1-en-7-yne is C=C(CCCCC#CCCC)OCC.
What is the InChIKey of 2-ethoxyundec-1-en-7-yne?
The InChIKey is UBXBTIHMACTOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-6-7-8-9-10-11-12-13(3)14-5-2/h3-6,9-12H2,1-2H3.
What are the key properties of 2-ethoxyundec-1-en-7-yne?
2-ethoxyundec-1-en-7-yne has a molecular weight of 194.32 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyundec-1-en-7-yne is sourced from PubChem (CID 86074078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).