[(E)-hex-3-en-1-ynyl]cyclopentane

C11H16 — CID 163810964

IUPAC[(E)-hex-3-en-1-ynyl]cyclopentane
SMILESCC/C=C/C#CC1CCCC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-4,11H,2,6-7,9-10H2,1H3/b4-3+
InChIKeyNNERQJDEGGLVKK-ONEGZZNKSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds1

About [(E)-hex-3-en-1-ynyl]cyclopentane

[(E)-hex-3-en-1-ynyl]cyclopentane (PubChem CID 163810964) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is [(E)-hex-3-en-1-ynyl]cyclopentane.

Molecular Properties

Compound Name[(E)-hex-3-en-1-ynyl]cyclopentane
PubChem CID163810964
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name[(E)-hex-3-en-1-ynyl]cyclopentane
SMILESCC/C=C/C#CC1CCCC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-4,11H,2,6-7,9-10H2,1H3/b4-3+
InChIKeyNNERQJDEGGLVKK-ONEGZZNKSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.15
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

1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424873
(Z)-oct-3-en-5-yne
CID 5367081
but-3-en-1-ynylcyclohexane
CID 10931474
[(E)-but-1-enyl]cyclodecane
CID 173272598
hept-4-en-2-yn-1-ol
CID 54212418
prop-1-ynylcyclododecane
CID 141054951
1-butyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424985
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
3-propylhex-1-ynylcyclohexane
CID 174832494
1-butyl-4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 54292097
dodec-1-ynylcycloheptane
CID 11579803
(E)-hex-3-en-1-yne
CID 5367402

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-en-1-ynyl]cyclopentane?
The IUPAC name of [(E)-hex-3-en-1-ynyl]cyclopentane (CID 163810964) is [(E)-hex-3-en-1-ynyl]cyclopentane.
What is the SMILES notation for [(E)-hex-3-en-1-ynyl]cyclopentane?
The canonical SMILES for [(E)-hex-3-en-1-ynyl]cyclopentane is CC/C=C/C#CC1CCCC1.
What is the InChIKey of [(E)-hex-3-en-1-ynyl]cyclopentane?
The InChIKey is NNERQJDEGGLVKK-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-4,11H,2,6-7,9-10H2,1H3/b4-3+.
What are the key properties of [(E)-hex-3-en-1-ynyl]cyclopentane?
[(E)-hex-3-en-1-ynyl]cyclopentane has a molecular weight of 148.25 g/mol, XLogP of 3.15, 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-ynyl]cyclopentane is sourced from PubChem (CID 163810964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).