1-(3-ethoxyprop-2-ynoxy)but-2-yne

C9H12O2 — CID 102347167

IUPAC1-(3-ethoxyprop-2-ynoxy)but-2-yne
SMILESCC#CCOCC#COCC
InChIInChI=1S/C9H12O2/c1-3-5-7-11-9-6-8-10-4-2/h4,7,9H2,1-2H3
InChIKeyCPNVVRHJIGOWER-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-ethoxyprop-2-ynoxy)but-2-yne

1-(3-ethoxyprop-2-ynoxy)but-2-yne (PubChem CID 102347167) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(3-ethoxyprop-2-ynoxy)but-2-yne.

Molecular Properties

Compound Name1-(3-ethoxyprop-2-ynoxy)but-2-yne
PubChem CID102347167
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(3-ethoxyprop-2-ynoxy)but-2-yne
SMILESCC#CCOCC#COCC
InChIInChI=1S/C9H12O2/c1-3-5-7-11-9-6-8-10-4-2/h4,7,9H2,1-2H3
InChIKeyCPNVVRHJIGOWER-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.02
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

3-Ethoxyprop-1-yne
CID 6427121
1,4-Dimethoxy-2-butyne
CID 542354
3-Propoxyprop-1-yne
CID 104416
1-Ethoxypent-2-yne
CID 15266968
1-Methoxy-2-butyne
CID 549876
1-Ethoxyprop-1-yne
CID 640369
2-Butyne, 1,4-bis(2-propynyloxy)-
CID 10888229
1-Ethoxybut-2-yne
CID 11768503
2,4-Hexadiyne, 1,6-dimethoxy-
CID 11829512
1,6-Dioxacyclodeca-3,8-diyne
CID 138774
1,4-Dipropoxybut-2-yne
CID 3017958
2-Pentyne, 1,5-bis(2-propynyloxy)-
CID 11389709

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyprop-2-ynoxy)but-2-yne?
The IUPAC name of 1-(3-ethoxyprop-2-ynoxy)but-2-yne (CID 102347167) is 1-(3-ethoxyprop-2-ynoxy)but-2-yne.
What is the SMILES notation for 1-(3-ethoxyprop-2-ynoxy)but-2-yne?
The canonical SMILES for 1-(3-ethoxyprop-2-ynoxy)but-2-yne is CC#CCOCC#COCC.
What is the InChIKey of 1-(3-ethoxyprop-2-ynoxy)but-2-yne?
The InChIKey is CPNVVRHJIGOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-7-11-9-6-8-10-4-2/h4,7,9H2,1-2H3.
What are the key properties of 1-(3-ethoxyprop-2-ynoxy)but-2-yne?
1-(3-ethoxyprop-2-ynoxy)but-2-yne has a molecular weight of 152.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyprop-2-ynoxy)but-2-yne is sourced from PubChem (CID 102347167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).