pent-4-en-1-ynylcyclohexane

C11H16 — CID 45079372

IUPACpent-4-en-1-ynylcyclohexane
SMILESC=CCC#CC1CCCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,3-4,6-7,9-10H2
InChIKeyXUUXZRUDXIQRIM-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds1

About pent-4-en-1-ynylcyclohexane

pent-4-en-1-ynylcyclohexane (PubChem CID 45079372) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is pent-4-en-1-ynylcyclohexane.

Molecular Properties

Compound Namepent-4-en-1-ynylcyclohexane
PubChem CID45079372
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namepent-4-en-1-ynylcyclohexane
SMILESC=CCC#CC1CCCCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,3-4,6-7,9-10H2
InChIKeyXUUXZRUDXIQRIM-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ethylene.vinylcyclohexane
CID 86663845
But-3-en-1-ynylcyclohexane
CID 10931474
5-Ethynyldeca-1,9-diene
CID 11708112
Non-1-en-4-yn-3-ylcyclohexane
CID 134965251
3-Methylpent-4-en-1-ynylcyclohexane
CID 134994843
3-(2-Cyclohexylethynyl)cyclohexene
CID 134995401
5-Prop-2-ynyldeca-1,9-diene
CID 135073215
3-Methylhex-5-en-1-ynylcyclohexane
CID 154711258
Pent-4-en-2-ynylcyclohexane
CID 154719339
1-Ethenyl-3-ethynylcyclohexane
CID 13593938
5-Methylnon-1-en-8-yne
CID 54296500
3-Ethynylpent-4-enylcyclohexane
CID 54299910

Frequently Asked Questions

What is the IUPAC name of pent-4-en-1-ynylcyclohexane?
The IUPAC name of pent-4-en-1-ynylcyclohexane (CID 45079372) is pent-4-en-1-ynylcyclohexane.
What is the SMILES notation for pent-4-en-1-ynylcyclohexane?
The canonical SMILES for pent-4-en-1-ynylcyclohexane is C=CCC#CC1CCCCC1.
What is the InChIKey of pent-4-en-1-ynylcyclohexane?
The InChIKey is XUUXZRUDXIQRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h2,11H,1,3-4,6-7,9-10H2.
What are the key properties of pent-4-en-1-ynylcyclohexane?
pent-4-en-1-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-1-ynylcyclohexane is sourced from PubChem (CID 45079372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).