hex-5-ynylcyclopentane

C11H18 — CID 21319603

IUPAChex-5-ynylcyclopentane
SMILESC#CCCCCC1CCCC1
InChIInChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h1,11H,3-10H2
InChIKeyMEHAKXNNTXMIMR-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.37
Rot. Bonds4

About hex-5-ynylcyclopentane

hex-5-ynylcyclopentane (PubChem CID 21319603) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is hex-5-ynylcyclopentane.

Molecular Properties

Compound Namehex-5-ynylcyclopentane
PubChem CID21319603
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Namehex-5-ynylcyclopentane
SMILESC#CCCCCC1CCCC1
InChIInChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h1,11H,3-10H2
InChIKeyMEHAKXNNTXMIMR-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-ynylcyclopentane?
The IUPAC name of hex-5-ynylcyclopentane (CID 21319603) is hex-5-ynylcyclopentane.
What is the SMILES notation for hex-5-ynylcyclopentane?
The canonical SMILES for hex-5-ynylcyclopentane is C#CCCCCC1CCCC1.
What is the InChIKey of hex-5-ynylcyclopentane?
The InChIKey is MEHAKXNNTXMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h1,11H,3-10H2.
What are the key properties of hex-5-ynylcyclopentane?
hex-5-ynylcyclopentane has a molecular weight of 150.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ynylcyclopentane is sourced from PubChem (CID 21319603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).