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

C6H8 — CID 5367402

IUPAC(E)-hex-3-en-1-yne
SMILESC#C/C=C/CC
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3/b6-5+
InChIKeyCLFYLNSQRWCJAY-AATRIKPKSA-N
MW80.13 g/mol
LogP1.59
Rot. Bonds1

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

(E)-hex-3-en-1-yne (PubChem CID 5367402) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is (E)-hex-3-en-1-yne.

Molecular Properties

Compound Name(E)-hex-3-en-1-yne
PubChem CID5367402
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name(E)-hex-3-en-1-yne
SMILESC#C/C=C/CC
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3/b6-5+
InChIKeyCLFYLNSQRWCJAY-AATRIKPKSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol
CID 135042298
(3Z,6R,7R,9Z,12Z)-pentadeca-3,9,12-trien-1-yne-6,7-diol
CID 162957489
non-3-en-1-yne
CID 556159
(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
CID 11693943
(3E,13E)-hexadeca-3,13-dien-1,15-diyne
CID 101416454
(3E,9Z,12Z)-7-chloropentadeca-3,9,12-trien-1-yn-6-ol
CID 23427896
6-chloropentadeca-3,9,12-trien-1-yn-7-ol
CID 162938534
(3Z,6R,7R,9Z,12Z)-7-chloropentadeca-3,9,12-trien-1-yn-6-ol
CID 139585524
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514
(Z)-oct-3-en-5-yne
CID 5367081
[(3E,6R,7R,9Z,12E)-6-acetyloxypentadeca-3,9,12-trien-1-yn-7-yl] acetate
CID 101356857
hex-3-ene;hydrochloride
CID 159012047

Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-en-1-yne?
The IUPAC name of (E)-hex-3-en-1-yne (CID 5367402) is (E)-hex-3-en-1-yne.
What is the SMILES notation for (E)-hex-3-en-1-yne?
The canonical SMILES for (E)-hex-3-en-1-yne is C#C/C=C/CC.
What is the InChIKey of (E)-hex-3-en-1-yne?
The InChIKey is CLFYLNSQRWCJAY-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3/b6-5+.
What are the key properties of (E)-hex-3-en-1-yne?
(E)-hex-3-en-1-yne has a molecular weight of 80.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-en-1-yne is sourced from PubChem (CID 5367402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).