(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol

C8H14O2 — CID 15499572

IUPAC(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol
SMILESCC1(O)CC=CC[C@@]1(C)O
InChIInChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(7,2)10/h3-4,9-10H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyWOEPFTKCDAMXGU-GVHYBUMESA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds

About (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol

(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol (PubChem CID 15499572) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol
PubChem CID15499572
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol
SMILESCC1(O)CC=CC[C@@]1(C)O
InChIInChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(7,2)10/h3-4,9-10H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyWOEPFTKCDAMXGU-GVHYBUMESA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
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

(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
4,4-dimethylcyclopentene;methane
CID 143166820
(1R,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
CID 55286804
(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
CID 129013708
1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
CID 45086440
2,2,7,7-tetramethylcyclohept-4-en-1-one
CID 10986628
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
1,5-dimethylcyclohex-3-en-1-ol
CID 101312152
6,6-dimethyl-2,5-dihydroselenopyran
CID 101002388
(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
CID 22787987
1-cyclopent-3-en-1-ylcyclopent-3-en-1-ol
CID 72735362
acetaldehyde;4,4-dimethylcyclopentene;ethane
CID 144700874

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol?
The IUPAC name of (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol (CID 15499572) is (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol.
What is the SMILES notation for (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol?
The canonical SMILES for (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol is CC1(O)CC=CC[C@@]1(C)O.
What is the InChIKey of (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol?
The InChIKey is WOEPFTKCDAMXGU-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(7,2)10/h3-4,9-10H,5-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol?
(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethylcyclohex-4-ene-1,2-diol is sourced from PubChem (CID 15499572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).