pent-4-en-2-ynylcyclohexane

C11H16 — CID 154719339

IUPACpent-4-en-2-ynylcyclohexane
SMILESC=CC#CCC1CCCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,4,6-10H2
InChIKeyWWRKAVSVTLUAMY-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds1

About pent-4-en-2-ynylcyclohexane

pent-4-en-2-ynylcyclohexane (PubChem CID 154719339) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is pent-4-en-2-ynylcyclohexane.

Molecular Properties

Compound Namepent-4-en-2-ynylcyclohexane
PubChem CID154719339
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namepent-4-en-2-ynylcyclohexane
SMILESC=CC#CCC1CCCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,4,6-10H2
InChIKeyWWRKAVSVTLUAMY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-ynylcyclohexane?
The IUPAC name of pent-4-en-2-ynylcyclohexane (CID 154719339) is pent-4-en-2-ynylcyclohexane.
What is the SMILES notation for pent-4-en-2-ynylcyclohexane?
The canonical SMILES for pent-4-en-2-ynylcyclohexane is C=CC#CCC1CCCCC1.
What is the InChIKey of pent-4-en-2-ynylcyclohexane?
The InChIKey is WWRKAVSVTLUAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,4,6-10H2.
What are the key properties of pent-4-en-2-ynylcyclohexane?
pent-4-en-2-ynylcyclohexane 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 pent-4-en-2-ynylcyclohexane is sourced from PubChem (CID 154719339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).