2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

C10H12O2 — CID 54305950

IUPAC2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(C)c(O)c(=C)c(C)c1O
InChIInChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1,4H2,2-3H3
InChIKeySHMSPNQSODDPLJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.54
Rot. Bonds

About 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (PubChem CID 54305950) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
PubChem CID54305950
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(C)c(O)c(=C)c(C)c1O
InChIInChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1,4H2,2-3H3
InChIKeySHMSPNQSODDPLJ-UHFFFAOYSA-N
XLogP0.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 53931519
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
CID 135566303
Methyldihydroxycyclohexadiene
CID 129690230
6-Propan-2-ylidenecyclohexa-1,3-dien-1-ol
CID 17814013
5,6-Dimethylidenecyclohexa-1,3-diene-1,4-diol
CID 20031100
6-Ethenylidenecyclohexa-1,3-dien-1-ol
CID 22268898
2,4-Dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol
CID 23202225
4-Methyl-6-methylidenecyclohexa-1,3-dien-1-ol
CID 23202228
3,4-Dimethyl-5,6-dimethylidenecyclohexa-1,3-diene-1,2-diol
CID 53880230
3-(Chloromethylidene)-2,5-dimethyl-6-methylidenecyclohexa-1,4-diene-1,4-diol
CID 54074805
5,6-Dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol
CID 54117195

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (CID 54305950) is 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is C=c1c(C)c(O)c(=C)c(C)c1O.
What is the InChIKey of 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The InChIKey is SHMSPNQSODDPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1,4H2,2-3H3.
What are the key properties of 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol has a molecular weight of 164.20 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 54305950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).