[(E)-but-1-en-3-ynyl]cyclohexane

C10H14 — CID 14529129

IUPAC[(E)-but-1-en-3-ynyl]cyclohexane
SMILESC#C/C=C/C1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h1,3,7,10H,4-6,8-9H2/b7-3+
InChIKeyUAFWFRXFEAYUAW-XVNBXDOJSA-N
MW134.22 g/mol
LogP2.76
Rot. Bonds1

About [(E)-but-1-en-3-ynyl]cyclohexane

[(E)-but-1-en-3-ynyl]cyclohexane (PubChem CID 14529129) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is [(E)-but-1-en-3-ynyl]cyclohexane.

Molecular Properties

Compound Name[(E)-but-1-en-3-ynyl]cyclohexane
PubChem CID14529129
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name[(E)-but-1-en-3-ynyl]cyclohexane
SMILESC#C/C=C/C1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h1,3,7,10H,4-6,8-9H2/b7-3+
InChIKeyUAFWFRXFEAYUAW-XVNBXDOJSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.76
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

2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824
prop-1-enylcyclododecane
CID 139760926
2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
CID 18414980
3-cyclobutylprop-2-enenitrile
CID 67335602
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
(E)-2-cyclohexylethenethiol
CID 142947684
2-iodoethenylcyclohexane
CID 71361827
3-cyclohexylprop-2-enal
CID 54063598
(E)-2-cyclopentylethenamine
CID 144971488
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283
(1R,3S,8aS)-3-[(Z)-but-1-en-3-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 138966395

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-en-3-ynyl]cyclohexane?
The IUPAC name of [(E)-but-1-en-3-ynyl]cyclohexane (CID 14529129) is [(E)-but-1-en-3-ynyl]cyclohexane.
What is the SMILES notation for [(E)-but-1-en-3-ynyl]cyclohexane?
The canonical SMILES for [(E)-but-1-en-3-ynyl]cyclohexane is C#C/C=C/C1CCCCC1.
What is the InChIKey of [(E)-but-1-en-3-ynyl]cyclohexane?
The InChIKey is UAFWFRXFEAYUAW-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h1,3,7,10H,4-6,8-9H2/b7-3+.
What are the key properties of [(E)-but-1-en-3-ynyl]cyclohexane?
[(E)-but-1-en-3-ynyl]cyclohexane has a molecular weight of 134.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-en-3-ynyl]cyclohexane is sourced from PubChem (CID 14529129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).