(Z)-3-ethylpent-2-en-4-yn-1-ol

C7H10O — CID 10630453

IUPAC(Z)-3-ethylpent-2-en-4-yn-1-ol
SMILESC#C/C(=C\CO)CC
InChIInChI=1S/C7H10O/c1-3-7(4-2)5-6-8/h1,5,8H,4,6H2,2H3/b7-5+
InChIKeyPWIOJZQAJHSIBM-FNORWQNLSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds2

About (Z)-3-ethylpent-2-en-4-yn-1-ol

(Z)-3-ethylpent-2-en-4-yn-1-ol (PubChem CID 10630453) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-3-ethylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-3-ethylpent-2-en-4-yn-1-ol
PubChem CID10630453
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(Z)-3-ethylpent-2-en-4-yn-1-ol
SMILESC#C/C(=C\CO)CC
InChIInChI=1S/C7H10O/c1-3-7(4-2)5-6-8/h1,5,8H,4,6H2,2H3/b7-5+
InChIKeyPWIOJZQAJHSIBM-FNORWQNLSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 (Z)-3-ethylpent-2-en-4-yn-1-ol?
The IUPAC name of (Z)-3-ethylpent-2-en-4-yn-1-ol (CID 10630453) is (Z)-3-ethylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-3-ethylpent-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-3-ethylpent-2-en-4-yn-1-ol is C#C/C(=C\CO)CC.
What is the InChIKey of (Z)-3-ethylpent-2-en-4-yn-1-ol?
The InChIKey is PWIOJZQAJHSIBM-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10O/c1-3-7(4-2)5-6-8/h1,5,8H,4,6H2,2H3/b7-5+.
What are the key properties of (Z)-3-ethylpent-2-en-4-yn-1-ol?
(Z)-3-ethylpent-2-en-4-yn-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 10630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).