1-ethoxy-1-(2-ethynoxyethoxy)ethane

C8H14O3 — CID 87377634

IUPAC1-ethoxy-1-(2-ethynoxyethoxy)ethane
SMILESC#COCCOC(C)OCC
InChIInChI=1S/C8H14O3/c1-4-9-6-7-11-8(3)10-5-2/h1,8H,5-7H2,2-3H3
InChIKeyRVDDYJOQSCZRDD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.99
Rot. Bonds6

About 1-ethoxy-1-(2-ethynoxyethoxy)ethane

1-ethoxy-1-(2-ethynoxyethoxy)ethane (PubChem CID 87377634) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-ethoxy-1-(2-ethynoxyethoxy)ethane.

Molecular Properties

Compound Name1-ethoxy-1-(2-ethynoxyethoxy)ethane
PubChem CID87377634
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-ethoxy-1-(2-ethynoxyethoxy)ethane
SMILESC#COCCOC(C)OCC
InChIInChI=1S/C8H14O3/c1-4-9-6-7-11-8(3)10-5-2/h1,8H,5-7H2,2-3H3
InChIKeyRVDDYJOQSCZRDD-UHFFFAOYSA-N
XLogP0.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-ethynoxy-2-methoxyethane
CID 87059873
1,1,1-trichloro-3-(1-ethoxyethoxy)propane
CID 173130931
1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane
CID 18548194
CID 160899482
CID 160899482
1-bromo-8-(1-ethoxyethoxy)octane
CID 12607748

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(2-ethynoxyethoxy)ethane?
The IUPAC name of 1-ethoxy-1-(2-ethynoxyethoxy)ethane (CID 87377634) is 1-ethoxy-1-(2-ethynoxyethoxy)ethane.
What is the SMILES notation for 1-ethoxy-1-(2-ethynoxyethoxy)ethane?
The canonical SMILES for 1-ethoxy-1-(2-ethynoxyethoxy)ethane is C#COCCOC(C)OCC.
What is the InChIKey of 1-ethoxy-1-(2-ethynoxyethoxy)ethane?
The InChIKey is RVDDYJOQSCZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-9-6-7-11-8(3)10-5-2/h1,8H,5-7H2,2-3H3.
What are the key properties of 1-ethoxy-1-(2-ethynoxyethoxy)ethane?
1-ethoxy-1-(2-ethynoxyethoxy)ethane has a molecular weight of 158.20 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(2-ethynoxyethoxy)ethane is sourced from PubChem (CID 87377634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).