1-(2-ethoxyethoxy)pent-1-yne

C9H16O2 — CID 139657502

IUPAC1-(2-ethoxyethoxy)pent-1-yne
SMILESCCCC#COCCOCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-11-9-8-10-4-2/h3-5,8-9H2,1-2H3
InChIKeyVGTVMGBRFWBVTC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds5

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

1-(2-ethoxyethoxy)pent-1-yne (PubChem CID 139657502) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)pent-1-yne.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)pent-1-yne
PubChem CID139657502
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(2-ethoxyethoxy)pent-1-yne
SMILESCCCC#COCCOCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-11-9-8-10-4-2/h3-5,8-9H2,1-2H3
InChIKeyVGTVMGBRFWBVTC-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
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-diethoxyethane;hydrofluoride
CID 175535770
4-ethoxybut-3-yn-1-ol
CID 11571793
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
2-[2-(2-tetradec-1-ynoxyethoxy)ethoxy]ethanesulfonic acid
CID 122612142
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-(2-ethoxyethoxy)oct-2-yne
CID 169324331
2-ethoxyethoxymethyl(trimethyl)azanium chloride
CID 170555157
1-ethoxypropane;methane
CID 158784820
2-(2-ethoxyethoxy)ethyl octadec-1-ynoxy sulfate
CID 142735551
2-(2-ethoxyethoxy)ethyl hexadec-1-ynoxy sulfate
CID 142735603
hex-1-ynoxy 2-ethoxyethanesulfonate
CID 122612300

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)pent-1-yne?
The IUPAC name of 1-(2-ethoxyethoxy)pent-1-yne (CID 139657502) is 1-(2-ethoxyethoxy)pent-1-yne.
What is the SMILES notation for 1-(2-ethoxyethoxy)pent-1-yne?
The canonical SMILES for 1-(2-ethoxyethoxy)pent-1-yne is CCCC#COCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)pent-1-yne?
The InChIKey is VGTVMGBRFWBVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-7-11-9-8-10-4-2/h3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)pent-1-yne?
1-(2-ethoxyethoxy)pent-1-yne has a molecular weight of 156.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)pent-1-yne is sourced from PubChem (CID 139657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).