1-ethoxyhept-1-yne

C9H16O — CID 134875361

IUPAC1-ethoxyhept-1-yne
SMILESCCCCCC#COCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9-10-4-2/h3-7H2,1-2H3
InChIKeyFRUPMOJDDIVAIQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.56
Rot. Bonds4

About 1-ethoxyhept-1-yne

1-ethoxyhept-1-yne (PubChem CID 134875361) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethoxyhept-1-yne.

Molecular Properties

Compound Name1-ethoxyhept-1-yne
PubChem CID134875361
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-ethoxyhept-1-yne
SMILESCCCCCC#COCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9-10-4-2/h3-7H2,1-2H3
InChIKeyFRUPMOJDDIVAIQ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Npc182183
CID 560917
1-Methoxy-oct-2-yne
CID 13699571
1-Methoxy-2-heptyne
CID 11105374
1-Ethoxy-1-octyne
CID 10877345
1-Butoxyoct-1-yne
CID 10888581
1-Tetradecyne, 1-ethoxy-
CID 11075510
1-Ethoxyhexyne
CID 12385686
1-Heptynyl methyl ether
CID 12564137
1-Methoxynon-2-yne
CID 12682489
1-Methoxyoct-1-yne
CID 12813434
1-Propan-2-yloxyhex-1-yne
CID 12813435
Methoxy-nonin
CID 20565086

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhept-1-yne?
The IUPAC name of 1-ethoxyhept-1-yne (CID 134875361) is 1-ethoxyhept-1-yne.
What is the SMILES notation for 1-ethoxyhept-1-yne?
The canonical SMILES for 1-ethoxyhept-1-yne is CCCCCC#COCC.
What is the InChIKey of 1-ethoxyhept-1-yne?
The InChIKey is FRUPMOJDDIVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-7-8-9-10-4-2/h3-7H2,1-2H3.
What are the key properties of 1-ethoxyhept-1-yne?
1-ethoxyhept-1-yne has a molecular weight of 140.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhept-1-yne is sourced from PubChem (CID 134875361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).