5-cyclopentylpent-1-ynylbenzene

C16H19+ — CID 166448928

IUPAC5-cyclopentylpent-1-ynylbenzene
SMILESC(#Cc1ccccc1)CCC[C+]1CCCC1
InChIInChI=1S/C16H19/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9-10H,2,6-8,12-14H2/q+1
InChIKeySJSONWJRVWQZQI-UHFFFAOYSA-N
MW211.33 g/mol
LogP4.36
Rot. Bonds3

About 5-cyclopentylpent-1-ynylbenzene

5-cyclopentylpent-1-ynylbenzene (PubChem CID 166448928) has the molecular formula C16H19+ and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-cyclopentylpent-1-ynylbenzene.

Molecular Properties

Compound Name5-cyclopentylpent-1-ynylbenzene
PubChem CID166448928
Molecular FormulaC16H19+
Molecular Weight211.33 g/mol
Exact Mass211.15
IUPAC Name5-cyclopentylpent-1-ynylbenzene
SMILESC(#Cc1ccccc1)CCC[C+]1CCCC1
InChIInChI=1S/C16H19/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9-10H,2,6-8,12-14H2/q+1
InChIKeySJSONWJRVWQZQI-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-bromohex-1-ynylbenzene
CID 10728550
deca-1,9-diynylbenzene
CID 86004260
tridec-1-ynylbenzene
CID 19991064
7-phenylhept-6-yn-2-one
CID 11084575
ethane;non-1-ynylbenzene
CID 143616673
4-phenylbut-3-yne-1-thiol
CID 12602832
2-(5-phenylpent-4-ynyl)cyclopentan-1-one
CID 101452547
5-methylsulfinylpent-1-ynylbenzene
CID 15311000
12,12-dimethyltridec-1-ynylbenzene
CID 151442672
sodium;hydride;7-phenylhept-6-ynoic acid
CID 174614549
5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol
CID 11067763

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylpent-1-ynylbenzene?
The IUPAC name of 5-cyclopentylpent-1-ynylbenzene (CID 166448928) is 5-cyclopentylpent-1-ynylbenzene.
What is the SMILES notation for 5-cyclopentylpent-1-ynylbenzene?
The canonical SMILES for 5-cyclopentylpent-1-ynylbenzene is C(#Cc1ccccc1)CCC[C+]1CCCC1.
What is the InChIKey of 5-cyclopentylpent-1-ynylbenzene?
The InChIKey is SJSONWJRVWQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9-10H,2,6-8,12-14H2/q+1.
What are the key properties of 5-cyclopentylpent-1-ynylbenzene?
5-cyclopentylpent-1-ynylbenzene has a molecular weight of 211.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylpent-1-ynylbenzene is sourced from PubChem (CID 166448928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).