(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol

C8H12O2 — CID 10219475

IUPAC(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C(C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7-10H,1-2H3/t7-,8+
InChIKeySYNKFRQUBCHBOW-OCAPTIKFSA-N
MW140.18 g/mol
LogP0.61
Rot. Bonds

About (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol

(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol (PubChem CID 10219475) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol
PubChem CID10219475
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C(C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7-10H,1-2H3/t7-,8+
InChIKeySYNKFRQUBCHBOW-OCAPTIKFSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Cyclohexadiene-1,2-diol, 3-methyl-, cis-
CID 440399
(1S,3Z)-3-(2-hydroxyethylidene)-4-methylidenecyclohexan-1-ol
CID 15618759
(1R,2S)-5-chloro-3-methylcyclohexa-3,5-diene-1,2-diol
CID 126961013
(2E,6E,9xi)-Farnesol
CID 101648403
cis-1,2-Dihydro-3-ethylcatechol
CID 441155
(1R,2S)-3-ethenylcyclohexa-3,5-diene-1,2-diol
CID 9543035
4,5-Dihydroxy-2-methyl-1-methylcyclopent-3-ene
CID 11073425
Pestalotiopsol B
CID 139583527
Succinilene D
CID 139590431
(2E,4E)-octa-2,4-diene-1,6,7-triol
CID 139591691
Aspergone M
CID 156581220
Octa-2,4-diene-1,6,7-triol
CID 162814534

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol (CID 10219475) is (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol is CC1=CC=C(C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is SYNKFRQUBCHBOW-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7-10H,1-2H3/t7-,8+.
What are the key properties of (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol?
(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 140.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 10219475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).