1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene

C19H26 — CID 11064998

IUPAC1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
SMILESCCCCCCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C19H26/c1-4-5-6-7-8-9-13-18-15-11-16-19(18)14-10-12-17(2)3/h14H,4-8,11,15-16H2,1-3H3
InChIKeyAQESWXGMXUQWII-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.72
Rot. Bonds5

About 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene

1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene (PubChem CID 11064998) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene.

Molecular Properties

Compound Name1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
PubChem CID11064998
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
SMILESCCCCCCC#CC1=C(C=C=C=C(C)C)CCC1
InChIInChI=1S/C19H26/c1-4-5-6-7-8-9-13-18-15-11-16-19(18)14-10-12-17(2)3/h14H,4-8,11,15-16H2,1-3H3
InChIKeyAQESWXGMXUQWII-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.72
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-Hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
CID 10998721
(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-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene?
The IUPAC name of 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene (CID 11064998) is 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene.
What is the SMILES notation for 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene?
The canonical SMILES for 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene is CCCCCCC#CC1=C(C=C=C=C(C)C)CCC1.
What is the InChIKey of 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene?
The InChIKey is AQESWXGMXUQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-4-5-6-7-8-9-13-18-15-11-16-19(18)14-10-12-17(2)3/h14H,4-8,11,15-16H2,1-3H3.
What are the key properties of 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene?
1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene has a molecular weight of 254.42 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene is sourced from PubChem (CID 11064998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).