(2E)-2-ethylidenepent-3-yn-1-ol

C7H10O — CID 11571790

IUPAC(2E)-2-ethylidenepent-3-yn-1-ol
SMILESCC#C/C(=C\C)CO
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h4,8H,6H2,1-2H3/b7-4+
InChIKeyAZUCQKKXBGEPLJ-QPJJXVBHSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds1

About (2E)-2-ethylidenepent-3-yn-1-ol

(2E)-2-ethylidenepent-3-yn-1-ol (PubChem CID 11571790) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2E)-2-ethylidenepent-3-yn-1-ol.

Molecular Properties

Compound Name(2E)-2-ethylidenepent-3-yn-1-ol
PubChem CID11571790
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2E)-2-ethylidenepent-3-yn-1-ol
SMILESCC#C/C(=C\C)CO
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h4,8H,6H2,1-2H3/b7-4+
InChIKeyAZUCQKKXBGEPLJ-QPJJXVBHSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenepent-3-yn-1-ol?
The IUPAC name of (2E)-2-ethylidenepent-3-yn-1-ol (CID 11571790) is (2E)-2-ethylidenepent-3-yn-1-ol.
What is the SMILES notation for (2E)-2-ethylidenepent-3-yn-1-ol?
The canonical SMILES for (2E)-2-ethylidenepent-3-yn-1-ol is CC#C/C(=C\C)CO.
What is the InChIKey of (2E)-2-ethylidenepent-3-yn-1-ol?
The InChIKey is AZUCQKKXBGEPLJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h4,8H,6H2,1-2H3/b7-4+.
What are the key properties of (2E)-2-ethylidenepent-3-yn-1-ol?
(2E)-2-ethylidenepent-3-yn-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenepent-3-yn-1-ol is sourced from PubChem (CID 11571790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).