2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol

C26H36O2 — CID 90844568

IUPAC2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
SMILESCC(C)=CC=c1c(O)c(CC=C(C)C)c(=CC=C(C)C)c(O)c1CC=C(C)C
InChIInChI=1S/C26H36O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-13,16,27-28H,14-15H2,1-8H3
InChIKeyRZNUVFRPPJMQNG-UHFFFAOYSA-N
MW380.57 g/mol
LogP5.61
Rot. Bonds6

About 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol

2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol (PubChem CID 90844568) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
PubChem CID90844568
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
SMILESCC(C)=CC=c1c(O)c(CC=C(C)C)c(=CC=C(C)C)c(O)c1CC=C(C)C
InChIInChI=1S/C26H36O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-13,16,27-28H,14-15H2,1-8H3
InChIKeyRZNUVFRPPJMQNG-UHFFFAOYSA-N
XLogP5.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-Dimethylidenenaphthalene-1,4-diol
CID 53815679
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
2,4,6-Trimethylchinol
CID 68158760
2-Methyl-3,5-dimethylidenenaphthalene-1,4-diol
CID 90856787
7,12-Dimethyl-9-propan-2-ylbenzo[a]heptalene-2,4-diol
CID 101721104
8,10,12-Trimethylbenzo[a]heptalene-2,4-diol
CID 101721105
7,8,10,12-Tetramethylbenzo[a]heptalen-4-ol
CID 102079592
4-Methylcyclohexa-1,3-diene-1,2-diol
CID 20478676
4-Methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol
CID 21197472
1H-benzo[7]annulen-5-ol
CID 21319344
5,6-Didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol
CID 21421426
4-Methylcyclohexa-1,3-diene-1,3-diol
CID 22507314

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol (CID 90844568) is 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol is CC(C)=CC=c1c(O)c(CC=C(C)C)c(=CC=C(C)C)c(O)c1CC=C(C)C.
What is the InChIKey of 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol?
The InChIKey is RZNUVFRPPJMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-13,16,27-28H,14-15H2,1-8H3.
What are the key properties of 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol?
2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol has a molecular weight of 380.57 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 90844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).