cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol

C17H34O2 — CID 67866109

IUPACcyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
SMILESC1CCC(C2CCCCC2)CC1.CC(C)(CO)CO
InChIInChI=1S/C12H22.C5H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3-6)4-7/h11-12H,1-10H2;6-7H,3-4H2,1-2H3
InChIKeyLADNROPZKPCCSN-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.14
Rot. Bonds3

About cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol

cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol (PubChem CID 67866109) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol.

Molecular Properties

Compound Namecyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
PubChem CID67866109
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namecyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
SMILESC1CCC(C2CCCCC2)CC1.CC(C)(CO)CO
InChIInChI=1S/C12H22.C5H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3-6)4-7/h11-12H,1-10H2;6-7H,3-4H2,1-2H3
InChIKeyLADNROPZKPCCSN-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol?
The IUPAC name of cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol (CID 67866109) is cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol.
What is the SMILES notation for cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol?
The canonical SMILES for cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol is C1CCC(C2CCCCC2)CC1.CC(C)(CO)CO.
What is the InChIKey of cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol?
The InChIKey is LADNROPZKPCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C5H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3-6)4-7/h11-12H,1-10H2;6-7H,3-4H2,1-2H3.
What are the key properties of cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol?
cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol has a molecular weight of 270.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol is sourced from PubChem (CID 67866109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).