5-methyl-2-tetradecylcyclopenta-1,3-diene

C20H35+ — CID 90487597

IUPAC5-methyl-2-tetradecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCCCCC1=C[C+](C)C=C1
InChIInChI=1S/C20H35/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1
InChIKeyQTOJZWQWPBIFCD-UHFFFAOYSA-N
MW275.50 g/mol
LogP7.17
Rot. Bonds13

About 5-methyl-2-tetradecylcyclopenta-1,3-diene

5-methyl-2-tetradecylcyclopenta-1,3-diene (PubChem CID 90487597) has the molecular formula C20H35+ and a molecular weight of 275.50 g/mol. Its IUPAC name is 5-methyl-2-tetradecylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-tetradecylcyclopenta-1,3-diene
PubChem CID90487597
Molecular FormulaC20H35+
Molecular Weight275.50 g/mol
Exact Mass275.27
IUPAC Name5-methyl-2-tetradecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCCCCC1=C[C+](C)C=C1
InChIInChI=1S/C20H35/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1
InChIKeyQTOJZWQWPBIFCD-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.50
LogP ≤ 57.17
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

5-methyl-2-nonylcyclopenta-1,3-diene
CID 101132027
1,5-dimethyl-2-octylcyclopenta-1,3-diene
CID 90487428
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-hexyl-1,5-dimethylcyclopenta-1,3-diene chloride
CID 90487594
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-butyl-4-nonylbenzene
CID 59545302
hexacosane;hydroiodide
CID 175873194
triacontane;hydroiodide
CID 175873189
decane;trihydroiodide
CID 172732531
heptadecane;dihydroiodide
CID 87987371
bis(heptane);dihydroiodide
CID 173372979
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-tetradecylcyclopenta-1,3-diene?
The IUPAC name of 5-methyl-2-tetradecylcyclopenta-1,3-diene (CID 90487597) is 5-methyl-2-tetradecylcyclopenta-1,3-diene.
What is the SMILES notation for 5-methyl-2-tetradecylcyclopenta-1,3-diene?
The canonical SMILES for 5-methyl-2-tetradecylcyclopenta-1,3-diene is CCCCCCCCCCCCCCC1=C[C+](C)C=C1.
What is the InChIKey of 5-methyl-2-tetradecylcyclopenta-1,3-diene?
The InChIKey is QTOJZWQWPBIFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1.
What are the key properties of 5-methyl-2-tetradecylcyclopenta-1,3-diene?
5-methyl-2-tetradecylcyclopenta-1,3-diene has a molecular weight of 275.50 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-tetradecylcyclopenta-1,3-diene is sourced from PubChem (CID 90487597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).