1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene

C15H18 — CID 134888030

IUPAC1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene
SMILESC#C/C=C\C1=C(C#CCCCC)CCC1
InChIInChI=1S/C15H18/c1-3-5-7-8-11-15-13-9-12-14(15)10-6-4-2/h2,6,10H,3,5,7,9,12-13H2,1H3/b10-6-
InChIKeyBPOZRWCAOOIEPF-POHAHGRESA-N
MW198.31 g/mol
LogP3.85
Rot. Bonds3

About 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene

1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene (PubChem CID 134888030) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene.

Molecular Properties

Compound Name1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene
PubChem CID134888030
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene
SMILESC#C/C=C\C1=C(C#CCCCC)CCC1
InChIInChI=1S/C15H18/c1-3-5-7-8-11-15-13-9-12-14(15)10-6-4-2/h2,6,10H,3,5,7,9,12-13H2,1H3/b10-6-
InChIKeyBPOZRWCAOOIEPF-POHAHGRESA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.85
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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Related Compounds

(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
5-Heptan-4-ylidenecyclopenta-1,3-diene
CID 15824856
(E)-3-fluoro-6-prop-1-en-2-ylnon-6-en-1-yne
CID 138628540
1,3-Cyclopentadiene, 2-pentyl
CID 528181
1,3-Cyclopentadiene, 1-(3-butynyl)
CID 556572
5-Hept-6-yn-2-ylidenecyclopenta-1,3-diene
CID 13624562
(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne
CID 162518508
(3E,5Z,8E,14Z)-5-[(E)-but-2-enyl]-3,6-dimethyl-9,11,12-trimethylidene-8-(2-methylprop-2-enylidene)heptadeca-3,5,14-trien-1-yne
CID 5289537
(3E,5E,7E)-tetradeca-3,5,7-trien-1-yne
CID 10726300
1-Oct-1-ynylcyclopentene
CID 10910108
1-Hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
CID 10998721
1-(4-Methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
CID 11064998

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene?
The IUPAC name of 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene (CID 134888030) is 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene.
What is the SMILES notation for 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene?
The canonical SMILES for 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene is C#C/C=C\C1=C(C#CCCCC)CCC1.
What is the InChIKey of 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene?
The InChIKey is BPOZRWCAOOIEPF-POHAHGRESA-N. The full InChI is InChI=1S/C15H18/c1-3-5-7-8-11-15-13-9-12-14(15)10-6-4-2/h2,6,10H,3,5,7,9,12-13H2,1H3/b10-6-.
What are the key properties of 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene?
1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene has a molecular weight of 198.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene is sourced from PubChem (CID 134888030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).