1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol

C10H16O2 — CID 12561654

IUPAC1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol
SMILESCC1=C(C)C(C)(O)C=CC1(C)O
InChIInChI=1S/C10H16O2/c1-7-8(2)10(4,12)6-5-9(7,3)11/h5-6,11-12H,1-4H3
InChIKeyMLEGKQFIUYGADI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds

About 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol

1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol (PubChem CID 12561654) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol
PubChem CID12561654
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol
SMILESCC1=C(C)C(C)(O)C=CC1(C)O
InChIInChI=1S/C10H16O2/c1-7-8(2)10(4,12)6-5-9(7,3)11/h5-6,11-12H,1-4H3
InChIKeyMLEGKQFIUYGADI-UHFFFAOYSA-N
XLogP1.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethylcyclohexa-2,5-diene-1,4-diol
CID 19804842
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
CID 102368256
CID 102368256
4,4-dichloro-1,3-dimethylcyclohexa-2,5-dien-1-ol
CID 170946043
6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
CID 15264449
5-hydroxy-3,5-dimethylfuran-2-one;phosphoric acid
CID 157068817
3,3-dimethylspiro[3.5]non-1-en-2-ol
CID 171793118
2,4-dimethyl-1H-pyridin-2-ol
CID 89313275
2-methylindole-6,6-diol
CID 90098195
1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
CID 71382568
4-hydroxy-2,4-dimethylnaphthalen-1-one
CID 12724464

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol (CID 12561654) is 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol is CC1=C(C)C(C)(O)C=CC1(C)O.
What is the InChIKey of 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol?
The InChIKey is MLEGKQFIUYGADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8(2)10(4,12)6-5-9(7,3)11/h5-6,11-12H,1-4H3.
What are the key properties of 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol?
1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylcyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 12561654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).