4,5-dimethylcyclohexa-1,5-diene-1,4-diol

C8H12O2 — CID 154516421

IUPAC4,5-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=CC(O)=CCC1(C)O
InChIInChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h3,5,9-10H,4H2,1-2H3
InChIKeyGMHABFJRJZQJRH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.53
Rot. Bonds

About 4,5-dimethylcyclohexa-1,5-diene-1,4-diol

4,5-dimethylcyclohexa-1,5-diene-1,4-diol (PubChem CID 154516421) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4,5-dimethylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4,5-dimethylcyclohexa-1,5-diene-1,4-diol
PubChem CID154516421
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4,5-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=CC(O)=CCC1(C)O
InChIInChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h3,5,9-10H,4H2,1-2H3
InChIKeyGMHABFJRJZQJRH-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethylcyclohexa-1,3-diene-1,3-diol
CID 163590235
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 130030729
1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
CID 159742479
1-methylcyclopent-2-ene-1,2-diol
CID 70255213
2,5-dihydrochromene-4a,7-diol
CID 21416083
2-[(4-hydroxy-1-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)methyl]-4-methyl-5-propan-2-ylphenol
CID 70525877
6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
CID 143519479
6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 71307734
4-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 66591586
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 45096401
1,4-dimethylcyclohexa-3,5-diene-1,3-diol
CID 154277759

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4,5-dimethylcyclohexa-1,5-diene-1,4-diol (CID 154516421) is 4,5-dimethylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4,5-dimethylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4,5-dimethylcyclohexa-1,5-diene-1,4-diol is CC1=CC(O)=CCC1(C)O.
What is the InChIKey of 4,5-dimethylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is GMHABFJRJZQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h3,5,9-10H,4H2,1-2H3.
What are the key properties of 4,5-dimethylcyclohexa-1,5-diene-1,4-diol?
4,5-dimethylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 140.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 154516421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).