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

C8H12 — CID 13412122

IUPAC(5S,6R)-5,6-dimethylcyclohexa-1,3-diene
SMILESC[C@@H]1C=CC=C[C@@H]1C
InChIInChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3/t7-,8+
InChIKeyCJSMAFKHKCZRCX-OCAPTIKFSA-N
MW108.18 g/mol
LogP2.38
Rot. Bonds

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

(5S,6R)-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 13412122) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (5S,6R)-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S,6R)-5,6-dimethylcyclohexa-1,3-diene
PubChem CID13412122
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(5S,6R)-5,6-dimethylcyclohexa-1,3-diene
SMILESC[C@@H]1C=CC=C[C@@H]1C
InChIInChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3/t7-,8+
InChIKeyCJSMAFKHKCZRCX-OCAPTIKFSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of (5S,6R)-5,6-dimethylcyclohexa-1,3-diene (CID 13412122) is (5S,6R)-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for (5S,6R)-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for (5S,6R)-5,6-dimethylcyclohexa-1,3-diene is C[C@@H]1C=CC=C[C@@H]1C.
What is the InChIKey of (5S,6R)-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is CJSMAFKHKCZRCX-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3/t7-,8+.
What are the key properties of (5S,6R)-5,6-dimethylcyclohexa-1,3-diene?
(5S,6R)-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 108.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 13412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).