1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene

C17H22 — CID 10998721

IUPAC1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
SMILESCCCCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C17H22/c1-4-5-6-7-11-16-13-9-14-17(16)12-8-10-15(2)3/h12H,4-6,9,13-14H2,1-3H3
InChIKeyOJTVHVBCOVSFAH-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.94
Rot. Bonds3

About 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene

1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene (PubChem CID 10998721) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene.

Molecular Properties

Compound Name1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
PubChem CID10998721
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
SMILESCCCCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C17H22/c1-4-5-6-7-11-16-13-9-14-17(16)12-8-10-15(2)3/h12H,4-6,9,13-14H2,1-3H3
InChIKeyOJTVHVBCOVSFAH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.94
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

1,4-Diethyl-2-methylcyclopenta-1,3-diene
CID 139667464
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
2-Methyl-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopentacyclo-dodecene
CID 14609944
(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne
CID 10900945
1-Oct-1-ynylcyclopentene
CID 10910108
1-(4-Methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
CID 11064998
(7Z)-7-butylheptadeca-7,9,10-trien-5-yne
CID 11077013
(5Z)-6-butyl-2-methyldodeca-2,3,5-trien-7-yne
CID 14979783
(7E)-7-butylheptadeca-7,9,10-trien-5-yne
CID 14979784
1,2,4-Tributyl-5-methylidenecyclopenta-1,3-diene
CID 15482196
(4E)-8-butyl-4-methyldodeca-4,6,7-trien-2-yne
CID 15721129
(4Z)-8-butyl-4-methyldodeca-4,6,7-trien-2-yne
CID 15721130

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene?
The IUPAC name of 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene (CID 10998721) is 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene.
What is the SMILES notation for 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene?
The canonical SMILES for 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene is CCCCC#CC1=C(C=C=C=C(C)C)CCC1.
What is the InChIKey of 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene?
The InChIKey is OJTVHVBCOVSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-4-5-6-7-11-16-13-9-14-17(16)12-8-10-15(2)3/h12H,4-6,9,13-14H2,1-3H3.
What are the key properties of 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene?
1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene has a molecular weight of 226.36 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene is sourced from PubChem (CID 10998721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).