(E)-1-propoxypent-1-en-3-yne

C8H12O — CID 23262411

IUPAC(E)-1-propoxypent-1-en-3-yne
SMILESCC#C/C=C/OCCC
InChIInChI=1S/C8H12O/c1-3-5-6-8-9-7-4-2/h6,8H,4,7H2,1-2H3/b8-6+
InChIKeyLUGXRJXFWGHDEL-SOFGYWHQSA-N
MW124.18 g/mol
LogP1.95
Rot. Bonds3

About (E)-1-propoxypent-1-en-3-yne

(E)-1-propoxypent-1-en-3-yne (PubChem CID 23262411) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (E)-1-propoxypent-1-en-3-yne.

Molecular Properties

Compound Name(E)-1-propoxypent-1-en-3-yne
PubChem CID23262411
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(E)-1-propoxypent-1-en-3-yne
SMILESCC#C/C=C/OCCC
InChIInChI=1S/C8H12O/c1-3-5-6-8-9-7-4-2/h6,8H,4,7H2,1-2H3/b8-6+
InChIKeyLUGXRJXFWGHDEL-SOFGYWHQSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.95
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

1-[2-(2-propoxyethenoxy)ethenoxy]propane
CID 90807044
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CID 141057914
1-(2-iodoethenoxy)propane
CID 141099280
3-octadecoxyprop-2-enenitrile
CID 174717457
3-dodecoxyprop-2-enenitrile
CID 174674000
2-propoxyethenesulfonic acid
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CID 11805157
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CID 3072552
1-chlorohex-2-en-4-yne
CID 71365292
1-propoxyprop-1-en-2-ol
CID 88536720
but-2-yne;1-methoxypropane;molecular hydrogen;hydrate
CID 159701527

Frequently Asked Questions

What is the IUPAC name of (E)-1-propoxypent-1-en-3-yne?
The IUPAC name of (E)-1-propoxypent-1-en-3-yne (CID 23262411) is (E)-1-propoxypent-1-en-3-yne.
What is the SMILES notation for (E)-1-propoxypent-1-en-3-yne?
The canonical SMILES for (E)-1-propoxypent-1-en-3-yne is CC#C/C=C/OCCC.
What is the InChIKey of (E)-1-propoxypent-1-en-3-yne?
The InChIKey is LUGXRJXFWGHDEL-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-6-8-9-7-4-2/h6,8H,4,7H2,1-2H3/b8-6+.
What are the key properties of (E)-1-propoxypent-1-en-3-yne?
(E)-1-propoxypent-1-en-3-yne has a molecular weight of 124.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-propoxypent-1-en-3-yne is sourced from PubChem (CID 23262411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).