1,5-dimethyl-2-octylcyclopenta-1,3-diene

C15H25+ — CID 90487428

IUPAC1,5-dimethyl-2-octylcyclopenta-1,3-diene
SMILESCCCCCCCCC1=C(C)[C+](C)C=C1
InChIInChI=1S/C15H25/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(15)3/h11-12H,4-10H2,1-3H3/q+1
InChIKeyJSVWYXBJFWVOHB-UHFFFAOYSA-N
MW205.37 g/mol
LogP5.22
Rot. Bonds7

About 1,5-dimethyl-2-octylcyclopenta-1,3-diene

1,5-dimethyl-2-octylcyclopenta-1,3-diene (PubChem CID 90487428) has the molecular formula C15H25+ and a molecular weight of 205.37 g/mol. Its IUPAC name is 1,5-dimethyl-2-octylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,5-dimethyl-2-octylcyclopenta-1,3-diene
PubChem CID90487428
Molecular FormulaC15H25+
Molecular Weight205.37 g/mol
Exact Mass205.20
IUPAC Name1,5-dimethyl-2-octylcyclopenta-1,3-diene
SMILESCCCCCCCCC1=C(C)[C+](C)C=C1
InChIInChI=1S/C15H25/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(15)3/h11-12H,4-10H2,1-3H3/q+1
InChIKeyJSVWYXBJFWVOHB-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.37
LogP ≤ 55.22
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'}

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Related Compounds

2-hexyl-1,5-dimethylcyclopenta-1,3-diene chloride
CID 90487594
5-methyl-2-tetradecylcyclopenta-1,3-diene
CID 90487597
5-methyl-2-nonylcyclopenta-1,3-diene
CID 101132027
3-hexyl-1,2-dimethyl-1H-silole
CID 173240913
1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
CID 173118712
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-dodecyl-5-ethylthiophene
CID 528251
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-ethyl-4-octacosylbenzene
CID 175218304
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-octylcyclopenta-1,3-diene?
The IUPAC name of 1,5-dimethyl-2-octylcyclopenta-1,3-diene (CID 90487428) is 1,5-dimethyl-2-octylcyclopenta-1,3-diene.
What is the SMILES notation for 1,5-dimethyl-2-octylcyclopenta-1,3-diene?
The canonical SMILES for 1,5-dimethyl-2-octylcyclopenta-1,3-diene is CCCCCCCCC1=C(C)[C+](C)C=C1.
What is the InChIKey of 1,5-dimethyl-2-octylcyclopenta-1,3-diene?
The InChIKey is JSVWYXBJFWVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25/c1-4-5-6-7-8-9-10-15-12-11-13(2)14(15)3/h11-12H,4-10H2,1-3H3/q+1.
What are the key properties of 1,5-dimethyl-2-octylcyclopenta-1,3-diene?
1,5-dimethyl-2-octylcyclopenta-1,3-diene has a molecular weight of 205.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-octylcyclopenta-1,3-diene is sourced from PubChem (CID 90487428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).