3,3,5,5-tetramethylcyclohexene-1,4-diol

C10H18O2 — CID 161229886

IUPAC3,3,5,5-tetramethylcyclohexene-1,4-diol
SMILESCC1(C)C=C(O)CC(C)(C)C1O
InChIInChI=1S/C10H18O2/c1-9(2)5-7(11)6-10(3,4)8(9)12/h5,8,11-12H,6H2,1-4H3
InChIKeyUYPOKYRMAZEPJX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.25
Rot. Bonds

About 3,3,5,5-tetramethylcyclohexene-1,4-diol

3,3,5,5-tetramethylcyclohexene-1,4-diol (PubChem CID 161229886) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,3,5,5-tetramethylcyclohexene-1,4-diol.

Molecular Properties

Compound Name3,3,5,5-tetramethylcyclohexene-1,4-diol
PubChem CID161229886
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,3,5,5-tetramethylcyclohexene-1,4-diol
SMILESCC1(C)C=C(O)CC(C)(C)C1O
InChIInChI=1S/C10H18O2/c1-9(2)5-7(11)6-10(3,4)8(9)12/h5,8,11-12H,6H2,1-4H3
InChIKeyUYPOKYRMAZEPJX-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylcyclohexene-1,4-diol?
The IUPAC name of 3,3,5,5-tetramethylcyclohexene-1,4-diol (CID 161229886) is 3,3,5,5-tetramethylcyclohexene-1,4-diol.
What is the SMILES notation for 3,3,5,5-tetramethylcyclohexene-1,4-diol?
The canonical SMILES for 3,3,5,5-tetramethylcyclohexene-1,4-diol is CC1(C)C=C(O)CC(C)(C)C1O.
What is the InChIKey of 3,3,5,5-tetramethylcyclohexene-1,4-diol?
The InChIKey is UYPOKYRMAZEPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-7(11)6-10(3,4)8(9)12/h5,8,11-12H,6H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylcyclohexene-1,4-diol?
3,3,5,5-tetramethylcyclohexene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylcyclohexene-1,4-diol is sourced from PubChem (CID 161229886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).