3,4,5,6-tetramethylcyclohexane-1,2-diol

C10H20O2 — CID 20624720

IUPAC3,4,5,6-tetramethylcyclohexane-1,2-diol
SMILESCC1C(C)C(C)C(O)C(O)C1C
InChIInChI=1S/C10H20O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5-12H,1-4H3
InChIKeyZIDBSIPGWBPVHI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.27
Rot. Bonds

About 3,4,5,6-tetramethylcyclohexane-1,2-diol

3,4,5,6-tetramethylcyclohexane-1,2-diol (PubChem CID 20624720) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,4,5,6-tetramethylcyclohexane-1,2-diol.

Molecular Properties

Compound Name3,4,5,6-tetramethylcyclohexane-1,2-diol
PubChem CID20624720
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,4,5,6-tetramethylcyclohexane-1,2-diol
SMILESCC1C(C)C(C)C(O)C(O)C1C
InChIInChI=1S/C10H20O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5-12H,1-4H3
InChIKeyZIDBSIPGWBPVHI-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethylcyclohexane-1,2-diol?
The IUPAC name of 3,4,5,6-tetramethylcyclohexane-1,2-diol (CID 20624720) is 3,4,5,6-tetramethylcyclohexane-1,2-diol.
What is the SMILES notation for 3,4,5,6-tetramethylcyclohexane-1,2-diol?
The canonical SMILES for 3,4,5,6-tetramethylcyclohexane-1,2-diol is CC1C(C)C(C)C(O)C(O)C1C.
What is the InChIKey of 3,4,5,6-tetramethylcyclohexane-1,2-diol?
The InChIKey is ZIDBSIPGWBPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5-12H,1-4H3.
What are the key properties of 3,4,5,6-tetramethylcyclohexane-1,2-diol?
3,4,5,6-tetramethylcyclohexane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethylcyclohexane-1,2-diol is sourced from PubChem (CID 20624720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).