5-(5-cyclopentylpentyl)cyclohexa-1,3-diene

C16H26 — CID 142426678

IUPAC5-(5-cyclopentylpentyl)cyclohexa-1,3-diene
SMILESC1=CCC(CCCCCC2CCCC2)C=C1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9,15-16H,2,5-8,10-14H2
InChIKeyITNNRTDQSWDZLW-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds6

About 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene

5-(5-cyclopentylpentyl)cyclohexa-1,3-diene (PubChem CID 142426678) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(5-cyclopentylpentyl)cyclohexa-1,3-diene
PubChem CID142426678
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name5-(5-cyclopentylpentyl)cyclohexa-1,3-diene
SMILESC1=CCC(CCCCCC2CCCC2)C=C1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9,15-16H,2,5-8,10-14H2
InChIKeyITNNRTDQSWDZLW-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-octylcyclohexa-1,3-diene;propane;2H-triazole
CID 175505536
5-cyclobutylpentylcyclobutane
CID 173228999
4-cyclopentylbutylcyclohexane
CID 144547696
4-(3-cyclopentylpropyl)cyclopentene
CID 148933494
octylcyclotetradecane
CID 175261841
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
3-decylcyclobutene
CID 174421846
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
8-cyclopentyloctan-1-ol
CID 19083491
5-chloropentylcyclopentane
CID 91621144

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene (CID 142426678) is 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene is C1=CCC(CCCCCC2CCCC2)C=C1.
What is the InChIKey of 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene?
The InChIKey is ITNNRTDQSWDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9,15-16H,2,5-8,10-14H2.
What are the key properties of 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene?
5-(5-cyclopentylpentyl)cyclohexa-1,3-diene has a molecular weight of 218.38 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentylpentyl)cyclohexa-1,3-diene is sourced from PubChem (CID 142426678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).