(Z)-3-ethylpent-3-en-1-yne

C7H10 — CID 5462864

IUPAC(Z)-3-ethylpent-3-en-1-yne
SMILESC#C/C(=C\C)CC
InChIInChI=1S/C7H10/c1-4-7(5-2)6-3/h1,5H,6H2,2-3H3/b7-5+
InChIKeyUNFQVPAAWFRBRN-FNORWQNLSA-N
MW94.16 g/mol
LogP1.98
Rot. Bonds1

About (Z)-3-ethylpent-3-en-1-yne

(Z)-3-ethylpent-3-en-1-yne (PubChem CID 5462864) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (Z)-3-ethylpent-3-en-1-yne.

Molecular Properties

Compound Name(Z)-3-ethylpent-3-en-1-yne
PubChem CID5462864
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(Z)-3-ethylpent-3-en-1-yne
SMILESC#C/C(=C\C)CC
InChIInChI=1S/C7H10/c1-4-7(5-2)6-3/h1,5H,6H2,2-3H3/b7-5+
InChIKeyUNFQVPAAWFRBRN-FNORWQNLSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-3-en-1-yne?
The IUPAC name of (Z)-3-ethylpent-3-en-1-yne (CID 5462864) is (Z)-3-ethylpent-3-en-1-yne.
What is the SMILES notation for (Z)-3-ethylpent-3-en-1-yne?
The canonical SMILES for (Z)-3-ethylpent-3-en-1-yne is C#C/C(=C\C)CC.
What is the InChIKey of (Z)-3-ethylpent-3-en-1-yne?
The InChIKey is UNFQVPAAWFRBRN-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10/c1-4-7(5-2)6-3/h1,5H,6H2,2-3H3/b7-5+.
What are the key properties of (Z)-3-ethylpent-3-en-1-yne?
(Z)-3-ethylpent-3-en-1-yne has a molecular weight of 94.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylpent-3-en-1-yne is sourced from PubChem (CID 5462864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).