2,5-dibutyl-5-methylcyclohexa-1,3-diene

C15H26 — CID 90832569

IUPAC2,5-dibutyl-5-methylcyclohexa-1,3-diene
SMILESCCCCC1=CCC(C)(CCCC)C=C1
InChIInChI=1S/C15H26/c1-4-6-8-14-9-12-15(3,13-10-14)11-7-5-2/h9-10,12H,4-8,11,13H2,1-3H3
InChIKeyNDPZEUSZKLCBJO-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.26
Rot. Bonds6

About 2,5-dibutyl-5-methylcyclohexa-1,3-diene

2,5-dibutyl-5-methylcyclohexa-1,3-diene (PubChem CID 90832569) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2,5-dibutyl-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dibutyl-5-methylcyclohexa-1,3-diene
PubChem CID90832569
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2,5-dibutyl-5-methylcyclohexa-1,3-diene
SMILESCCCCC1=CCC(C)(CCCC)C=C1
InChIInChI=1S/C15H26/c1-4-6-8-14-9-12-15(3,13-10-14)11-7-5-2/h9-10,12H,4-8,11,13H2,1-3H3
InChIKeyNDPZEUSZKLCBJO-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
CID 141421761
5-bromo-2-butyl-5-ethynylcyclohexa-1,3-diene
CID 151931819
2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
CID 67820941
1,4-dihexylcyclohexa-2,4-diene-1-sulfonic acid
CID 139979030
5-(butoxymethyl)-2-(heptoxymethyl)-5-methylcyclohexa-1,3-diene
CID 150457207
2,6,6-tributylcyclohexa-1,3-diene
CID 152708300
5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene
CID 173459403
2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
CID 67823707
2-heptadecylcyclopenta-1,3-diene
CID 91156945
5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
CID 68923292
1-butyl-4-ethyl-4-methylcyclopentene
CID 146868336
5-ethyl-2-iodo-5-methylcyclohexa-1,3-diene
CID 70999362

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dibutyl-5-methylcyclohexa-1,3-diene (CID 90832569) is 2,5-dibutyl-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dibutyl-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dibutyl-5-methylcyclohexa-1,3-diene is CCCCC1=CCC(C)(CCCC)C=C1.
What is the InChIKey of 2,5-dibutyl-5-methylcyclohexa-1,3-diene?
The InChIKey is NDPZEUSZKLCBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-4-6-8-14-9-12-15(3,13-10-14)11-7-5-2/h9-10,12H,4-8,11,13H2,1-3H3.
What are the key properties of 2,5-dibutyl-5-methylcyclohexa-1,3-diene?
2,5-dibutyl-5-methylcyclohexa-1,3-diene has a molecular weight of 206.37 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 2,5-dibutyl-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 90832569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).